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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(3-methoxy-7-oxidanyl-naphthalen-2-yl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-(7-hydroxy-3-methoxy-naphthalene-2-carbonyl)oxy-azepane-1-carboxylic acid CAS Name: 4-[(7-hydroxy-3-methoxy-2-naphthalenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(7-hydroxy-3-methoxynaphthalene-2-carbonyl)oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-(7-hydroxy-3-methoxy-2-naphthoyl)oxy-azepane-1-carboxylic acid Formula: C26H26N2O8 MolecularWeight: 494.49324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C=CC2=C1)O)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)O)C(=O)O

Isomeric SMILES

COC1=C(C=C2C=C(C=CC2=C1)O)C(=O)OC3CCCN(CC3NC(=O)C4=CC=C(C=C4)O)C(=O)O

InChI

InChI=1S/C26H26N2O8/c1-35-23-13-16-6-9-19(30)11-17(16)12-20(23)25(32)36-22-3-2-10-28(26(33)34)14-21(22)27-24(31)15-4-7-18(29)8-5-15/h4-9,11-13,21-22,29-30H,2-3,10,14H2,1H3,(H,27,31)(H,33,34)