4-(3,5-dimethoxynaphthalen-2-yl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-(3,5-dimethoxynaphthalen-2-yl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-(3,5-dimethoxynaphthalene-2-carbonyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-[(3,5-dimethoxy-2-naphthalenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-(3,5-dimethoxynaphthalene-2-carbonyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-(3,5-dimethoxy-2-naphthoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C27H28N2O8 MolecularWeight: 508.51982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=CC(=C(C=C21)OC)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

COC1=CC=CC2=CC(=C(C=C21)OC)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C27H28N2O8/c1-35-22-6-3-5-17-13-20(24(36-2)14-19(17)22)26(32)37-23-7-4-12-29(27(33)34)15-21(23)28-25(31)16-8-10-18(30)11-9-16/h3,5-6,8-11,13-14,21,23,30H,4,7,12,15H2,1-2H3,(H,28,31)(H,33,34)