[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate

Systemtic Name: [(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] pyridine-3-carboxylate Openeye Name: [(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [(2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H20N2O3/c1-14-12-19(15(2)23(14)18-9-5-4-6-10-18)20(24)16(3)26-21(25)17-8-7-11-22-13-17/h4-13,16H,1-3H3/t16-/m0/s1