4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-(3,5-dimethoxy-4-phenylmethoxy-phenyl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-(4-benzyloxy-3,5-dimethoxy-benzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-(4-benzoxy-3,5-dimethoxy-benzoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C30H32N2O9 MolecularWeight: 564.58308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C30H32N2O9/c1-38-25-15-21(16-26(39-2)27(25)40-18-19-7-4-3-5-8-19)29(35)41-24-9-6-14-32(30(36)37)17-23(24)31-28(34)20-10-12-22(33)13-11-20/h3-5,7-8,10-13,15-16,23-24,33H,6,9,14,17-18H2,1-2H3,(H,31,34)(H,36,37)