[(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-chloranylpyridine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-chloranylpyridine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 4-chloropyridine-2-carboxylate CAS Name: 4-chloro-2-pyridinecarboxylic acid [(2S)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 4-chloropyridine-2-carboxylate Traditional Name: 4-chloropicolinic acid [(1S)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=NC=CC(=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=NC=CC(=C3)Cl

InChI

InChI=1S/C19H20ClN3O3/c1-14(26-19(25)17-13-15(20)7-8-21-17)18(24)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3/t14-/m0/s1