[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] pyridine-3-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H18N2O3/c24-20(15-26-21(25)18-10-6-12-22-14-18)23-19-11-5-4-9-17(19)13-16-7-2-1-3-8-16/h1-12,14H,13,15H2,(H,23,24)