[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] pyridine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] pyridine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylbutyl]amino]ethyl] ester Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC=NC=C1)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3/c1-3-15(16-7-5-4-6-8-16)13-21-18(22)14(2)24-19(23)17-9-11-20-12-10-17/h4-12,14-15H,3,13H2,1-2H3,(H,21,22)/t14-,15-/m0/s1