3-[(4-hydroxyphenyl)carbonylamino]-4-naphthalen-2-ylcarbonyloxy-azepane-1-carboxylic acid

Systemtic Name: 3-[(4-hydroxyphenyl)carbonylamino]-4-naphthalen-2-ylcarbonyloxy-azepane-1-carboxylic acid Openeye Name: 3-[(4-hydroxybenzoyl)amino]-4-(naphthalene-2-carbonyloxy)azepane-1-carboxylic acid CAS Name: 3-[[(4-hydroxyphenyl)-oxomethyl]amino]-4-[2-naphthalenyl(oxo)methoxy]-1-azepanecarboxylic acid IUPAC Name: 3-[(4-hydroxybenzoyl)amino]-4-(naphthalene-2-carbonyloxy)azepane-1-carboxylic acid Traditional Name: 3-[(4-hydroxybenzoyl)amino]-4-(2-naphthoyloxy)azepane-1-carboxylic acid Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC(C(CN(C1)C(=O)O)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H24N2O6/c28-20-11-9-17(10-12-20)23(29)26-21-15-27(25(31)32)13-3-6-22(21)33-24(30)19-8-7-16-4-1-2-5-18(16)14-19/h1-2,4-5,7-12,14,21-22,28H,3,6,13,15H2,(H,26,29)(H,31,32)