3-[(4-hydroxyphenyl)carbonylamino]-4-(3-methoxy-7-phenylmethoxy-naphthalen-2-yl)carbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(3-methoxy-7-phenylmethoxy-naphthalen-2-yl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 4-(7-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-7-phenylmethoxy-2-naphthalenyl)-oxomethoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(3-methoxy-7-phenylmethoxynaphthalene-2-carbonyl)oxyazepane-1-carboxylic acid Traditional Name: 4-(7-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=C(C=CC2=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=C(C=CC2=C1)OCC3=CC=CC=C3)C(=O)OC4CCCN(CC4NC(=O)C5=CC=C(C=C5)O)C(=O)O

InChI

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