3-[(4-hydroxyphenyl)carbonylamino]-4-(2-phenylmethoxyphenyl)carbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(2-phenylmethoxyphenyl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 4-(2-benzyloxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[oxo-(2-phenylmethoxyphenyl)methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-phenylmethoxybenzoyl)oxyazepane-1-carboxylic acid Traditional Name: 4-(2-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=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

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