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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(4-phenylmethoxyphenyl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 4-(4-benzyloxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[oxo-(4-phenylmethoxyphenyl)methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(4-phenylmethoxybenzoyl)oxyazepane-1-carboxylic acid Traditional Name: 4-(4-benzoxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C28H28N2O7 MolecularWeight: 504.53112

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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)OCC4=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)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O7/c31-22-12-8-20(9-13-22)26(32)29-24-17-30(28(34)35)16-4-7-25(24)37-27(33)21-10-14-23(15-11-21)36-18-19-5-2-1-3-6-19/h1-3,5-6,8-15,24-25,31H,4,7,16-18H2,(H,29,32)(H,34,35)