[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)C3=CC=C(C=C3)CCCNC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)C3=CC=C(C=C3)CCCNC(=O)C

InChI

InChI=1S/C27H29N3O5/c1-3-34-23-14-12-22(13-15-23)30-26-24(7-5-17-29-26)27(33)35-18-25(32)21-10-8-20(9-11-21)6-4-16-28-19(2)31/h5,7-15,17H,3-4,6,16,18H2,1-2H3,(H,28,31)(H,29,30)