[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=C(N=CC=C1)NC2=CC=C(C=C2)OCC

InChI

InChI=1S/C21H27N3O4/c1-4-7-15(3)23-19(25)14-28-21(26)18-8-6-13-22-20(18)24-16-9-11-17(12-10-16)27-5-2/h6,8-13,15H,4-5,7,14H2,1-3H3,(H,22,24)(H,23,25)/t15-/m0/s1