[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=CN=CC=C2

InChI

InChI=1S/C18H20N2O3/c1-2-3-5-14-7-9-16(10-8-14)20-17(21)13-23-18(22)15-6-4-11-19-12-15/h4,6-12H,2-3,5,13H2,1H3,(H,20,21)