[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(2-methoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate CAS Name: 2-(2-methoxyanilino)-3-pyridinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(2-methoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(o-anisidino)nicotinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1NC2=C(C=CC=N2)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C21H25N3O4/c1-27-18-11-5-4-10-17(18)23-20-16(9-8-12-22-20)21(26)28-15-19(25)24-13-6-2-3-7-14-24/h4-5,8-12H,2-3,6-7,13-15H2,1H3,(H,22,23)