[(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [(1S)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [(1S)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [(1S)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O[C@@H](C2=CC=CC=C2)C(=O)N3CCCC3)Cl)C

InChI

InChI=1S/C20H21ClN2O3/c1-13-12-14(2)22-18(21)16(13)20(25)26-17(15-8-4-3-5-9-15)19(24)23-10-6-7-11-23/h3-5,8-9,12,17H,6-7,10-11H2,1-2H3/t17-/m0/s1