2-(1-cyclobutyl-2-oxidanyl-2-oxidanylidene-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid

Systemtic Name: 2-(1-cyclobutyl-2-oxidanyl-2-oxidanylidene-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutane-1-carboxylic acid Openeye Name: 2-(1-cyclobutyl-2-hydroxy-2-oxo-ethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propyl-carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[(1-cyclobutyl-2-hydroxy-2-oxoethoxy)-oxomethyl]-3,4-bis[oxo-[(4-phenoxyphenyl)methyl-propylamino]methyl]-1-cyclobutanecarboxylic acid IUPAC Name: 2-(1-cyclobutyl-2-hydroxy-2-oxoethoxy)carbonyl-3,4-bis[(4-phenoxyphenyl)methyl-propylcarbamoyl]cyclobutane-1-carboxylic acid Traditional Name: 2-(1-cyclobutyl-2-hydroxy-2-keto-ethoxy)carbonyl-3,4-bis[(4-phenoxybenzyl)-propyl-carbamoyl]cyclobutanecarboxylic acid Formula: C46H50N2O10 MolecularWeight: 790.8966

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)OC(C4CCC4)C(=O)O)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)OC(C4CCC4)C(=O)O)C(=O)N(CCC)CC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C46H50N2O10/c1-3-26-47(28-30-18-22-35(23-19-30)56-33-14-7-5-8-15-33)42(49)37-38(40(39(37)44(51)52)46(55)58-41(45(53)54)32-12-11-13-32)43(50)48(27-4-2)29-31-20-24-36(25-21-31)57-34-16-9-6-10-17-34/h5-10,14-25,32,37-41H,3-4,11-13,26-29H2,1-2H3,(H,51,52)(H,53,54)