4-[2,4-bis(phenylmethoxy)phenyl]carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-[2,4-bis(phenylmethoxy)phenyl]carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-(2,4-dibenzyloxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-[[2,4-bis(phenylmethoxy)phenyl]-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-[2,4-bis(phenylmethoxy)benzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-(2,4-dibenzoxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C35H34N2O8 MolecularWeight: 610.65306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=C(C=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=C(C=C(C=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C35H34N2O8/c38-27-15-13-26(14-16-27)33(39)36-30-21-37(35(41)42)19-7-12-31(30)45-34(40)29-18-17-28(43-22-24-8-3-1-4-9-24)20-32(29)44-23-25-10-5-2-6-11-25/h1-6,8-11,13-18,20,30-31,38H,7,12,19,21-23H2,(H,36,39)(H,41,42)