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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(4-phenylphenyl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-(4-phenylbenzoyl)oxy-azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[oxo-(4-phenylphenyl)methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(4-phenylbenzoyl)oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-(4-phenylbenzoyl)oxy-azepane-1-carboxylic acid Formula: C27H26N2O6 MolecularWeight: 474.50514

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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)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O6/c30-22-14-12-20(13-15-22)25(31)28-23-17-29(27(33)34)16-4-7-24(23)35-26(32)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-15,23-24,30H,4,7,16-17H2,(H,28,31)(H,33,34)