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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCCC(C)NC(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C23H31N3O4/c1-4-6-7-9-17(3)25-21(27)16-30-23(28)20-10-8-15-24-22(20)26-18-11-13-19(14-12-18)29-5-2/h8,10-15,17H,4-7,9,16H2,1-3H3,(H,24,26)(H,25,27)