4-(3,7-dimethoxynaphthalen-2-yl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid

Systemtic Name: 4-(3,7-dimethoxynaphthalen-2-yl)carbonyloxy-3-[(4-hydroxyphenyl)carbonylamino]azepane-1-carboxylic acid Openeye Name: 4-(3,7-dimethoxynaphthalene-2-carbonyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid CAS Name: 4-[(3,7-dimethoxy-2-naphthalenyl)-oxomethoxy]-3-[[(4-hydroxyphenyl)-oxomethyl]amino]-1-azepanecarboxylic acid IUPAC Name: 4-(3,7-dimethoxynaphthalene-2-carbonyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Traditional Name: 4-(3,7-dimethoxy-2-naphthoyl)oxy-3-[(4-hydroxybenzoyl)amino]azepane-1-carboxylic acid Formula: C27H28N2O8 MolecularWeight: 508.51982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O8/c1-35-20-10-7-17-14-24(36-2)21(13-18(17)12-20)26(32)37-23-4-3-11-29(27(33)34)15-22(23)28-25(31)16-5-8-19(30)9-6-16/h5-10,12-14,22-23,30H,3-4,11,15H2,1-2H3,(H,28,31)(H,33,34)