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

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)phenyl]carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-[4-(3,4-dimethoxyphenyl)benzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-[[4-(3,4-dimethoxyphenyl)phenyl]-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)benzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-[4-(3,4-dimethoxyphenyl)benzoyl]oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C29H30N2O8 MolecularWeight: 534.5571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)O)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)O)C(=O)O)OC

InChI

InChI=1S/C29H30N2O8/c1-37-25-14-11-21(16-26(25)38-2)18-5-7-20(8-6-18)28(34)39-24-4-3-15-31(29(35)36)17-23(24)30-27(33)19-9-12-22(32)13-10-19/h5-14,16,23-24,32H,3-4,15,17H2,1-2H3,(H,30,33)(H,35,36)