[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] pyridine-4-carboxylate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC=NC=C1)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)COC(=O)C1=CC=NC=C1)C2=CC=CC=C2

InChI

InChI=1S/C17H18N2O3/c1-13(14-5-3-2-4-6-14)11-19-16(20)12-22-17(21)15-7-9-18-10-8-15/h2-10,13H,11-12H2,1H3,(H,19,20)/t13-/m1/s1