3-[(4-hydroxyphenyl)carbonylamino]-4-(3-methoxy-5-phenylmethoxy-naphthalen-2-yl)carbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(3-methoxy-5-phenylmethoxy-naphthalen-2-yl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 4-(5-benzyloxy-3-methoxy-naphthalene-2-carbonyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[(3-methoxy-5-phenylmethoxy-2-naphthalenyl)-oxomethoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(3-methoxy-5-phenylmethoxynaphthalene-2-carbonyl)oxyazepane-1-carboxylic acid Traditional Name: 4-(5-benzoxy-3-methoxy-2-naphthoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C33H32N2O8 MolecularWeight: 584.61578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)OC4CCCN(CC4NC(=O)C5=CC=C(C=C5)O)C(=O)O

Isomeric SMILES

COC1=C(C=C2C=CC=C(C2=C1)OCC3=CC=CC=C3)C(=O)OC4CCCN(CC4NC(=O)C5=CC=C(C=C5)O)C(=O)O

InChI

InChI=1S/C33H32N2O8/c1-41-30-18-25-23(9-5-10-28(25)42-20-21-7-3-2-4-8-21)17-26(30)32(38)43-29-11-6-16-35(33(39)40)19-27(29)34-31(37)22-12-14-24(36)15-13-22/h2-5,7-10,12-15,17-18,27,29,36H,6,11,16,19-20H2,1H3,(H,34,37)(H,39,40)