2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate

Systemtic Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-6-[4-(2-hydroxyethyloxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-5'-[2-(1-oxidanylcycloheptyl)ethynyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Openeye Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-8-[(4-morpholinophenyl)carbamoyl]-1,2'-dioxo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylate CAS Name: (3R,4S,6R,7R,8S,8aS)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-8-[[4-(4-morpholinyl)anilino]-oxomethyl]-1,2'-dioxo-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (3R,4S,6R,7R,8S,8aS)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-8-[(4-morpholin-4-ylphenyl)carbamoyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Traditional Name: (3R,4S,6R,7R,8S,8aS)-5'-[2-(1-hydroxycycloheptyl)ethynyl]-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-diketo-8-[(4-morpholinophenyl)carbamoyl]-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylic acid 2-methoxyethyl ester Formula: C58H60N4O11 MolecularWeight: 989.1172

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)C4(C1=O)C(C5C(=O)OC(C(N5C4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=CC=C(C=C9)N1CCOCC1

Isomeric SMILES

COCCOC(=O)N1C2=C(C=C(C=C2)C#CC3(CCCCCC3)O)[C@]4(C1=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)NC9=CC=C(C=C9)N1CCOCC1

InChI

InChI=1S/C58H60N4O11/c1-69-36-37-72-56(67)61-47-25-16-39(26-29-57(68)27-10-2-3-11-28-57)38-46(47)58(55(61)66)48(53(64)59-43-19-21-44(22-20-43)60-30-33-70-34-31-60)50-54(65)73-51(41-14-8-5-9-15-41)49(40-12-6-4-7-13-40)62(50)52(58)42-17-23-45(24-18-42)71-35-32-63/h4-9,12-25,38,48-52,63,68H,2-3,10-11,27-28,30-37H2,1H3,(H,59,64)/t48-,49-,50-,51+,52+,58-/m0/s1