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

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-(5-methoxy-3-oxidanyl-naphthalen-2-yl)carbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-(3-hydroxy-5-methoxy-naphthalene-2-carbonyl)oxy-azepane-1-carboxylic acid CAS Name: 4-[(3-hydroxy-5-methoxy-2-naphthalenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(3-hydroxy-5-methoxynaphthalene-2-carbonyl)oxyazepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-(3-hydroxy-5-methoxy-2-naphthoyl)oxy-azepane-1-carboxylic acid Formula: C26H26N2O8 MolecularWeight: 494.49324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O8/c1-35-22-5-2-4-16-12-19(21(30)13-18(16)22)25(32)36-23-6-3-11-28(26(33)34)14-20(23)27-24(31)15-7-9-17(29)10-8-15/h2,4-5,7-10,12-13,20,23,29-30H,3,6,11,14H2,1H3,(H,27,31)(H,33,34)