(3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1'-(2-methoxyethoxycarbonyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid

Systemtic Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1'-(2-methoxyethoxycarbonyl)-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid Openeye Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1'-(2-methoxyethoxycarbonyl)-1,2'-dioxo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-8-carboxylic acid CAS Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(1-benzotriazolyl)prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-1,2'-dioxo-3,4-diphenyl-8-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid IUPAC Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1'-(2-methoxyethoxycarbonyl)-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-8-carboxylic acid Traditional Name: (3R,4S,6R,7R,8S,8aS)-5'-[3-(benzotriazol-1-yl)prop-1-ynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-1'-(2-methoxyethoxycarbonyl)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-8-carboxylic acid Formula: C48H41N5O10 MolecularWeight: 847.86664

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1C2=C(C=C(C=C2)C#CCN3C4=CC=CC=C4N=N3)C5(C1=O)C(C6C(=O)OC(C(N6C5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O

Isomeric SMILES

COCCOC(=O)N1C2=C(C=C(C=C2)C#CCN3C4=CC=CC=C4N=N3)[C@]5(C1=O)[C@@H]([C@H]6C(=O)O[C@@H]([C@@H](N6[C@@H]5C7=CC=CC=C7OCCO)C8=CC=CC=C8)C9=CC=CC=C9)C(=O)O

InChI

InChI=1S/C48H41N5O10/c1-60-27-28-62-47(59)52-36-23-22-30(13-12-24-51-37-20-10-9-19-35(37)49-50-51)29-34(36)48(46(52)58)39(44(55)56)41-45(57)63-42(32-16-6-3-7-17-32)40(31-14-4-2-5-15-31)53(41)43(48)33-18-8-11-21-38(33)61-26-25-54/h2-11,14-23,29,39-43,54H,24-28H2,1H3,(H,55,56)/t39-,40-,41-,42+,43+,48-/m0/s1