3-[(4-hydroxyphenyl)carbonylamino]-4-(2-phenylphenyl)carbonyloxycarbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(2-phenylphenyl)carbonyloxycarbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-phenylbenzoyl)oxycarbonyloxy-azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[oxo-[oxo-(2-phenylphenyl)methoxy]methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-phenylbenzoyl)oxycarbonyloxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-phenylbenzoyl)oxycarbonyloxy-azepane-1-carboxylic acid Formula: C28H26N2O8 MolecularWeight: 518.51464

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)OC(=O)C3=CC=CC=C3C4=CC=CC=C4

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)OC(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O8/c31-20-14-12-19(13-15-20)25(32)29-23-17-30(27(34)35)16-6-11-24(23)37-28(36)38-26(33)22-10-5-4-9-21(22)18-7-2-1-3-8-18/h1-5,7-10,12-15,23-24,31H,6,11,16-17H2,(H,29,32)(H,34,35)