[2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-(5-methylhexan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-(1,4-dimethylpentylamino)-2-oxo-ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [2-(5-methylhexan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(5-methylhexan-2-ylamino)-2-oxoethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [2-(1,4-dimethylpentylamino)-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC(C)CCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC(=O)NC(C)CCC(C)C

InChI

InChI=1S/C23H31N3O4/c1-5-29-19-12-10-18(11-13-19)26-22-20(7-6-14-24-22)23(28)30-15-21(27)25-17(4)9-8-16(2)3/h6-7,10-14,16-17H,5,8-9,15H2,1-4H3,(H,24,26)(H,25,27)