ethyl (3S)-1-[3-cyano-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-cyano-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-cyano-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3-cyano-1-[3-(trifluoromethyl)phenyl]-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-cyano-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[3-cyano-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C21H20F3N3O3 MolecularWeight: 419.39701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CN2C3=CC=CC(=C3)C(F)(F)F)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=C(C=CN2C3=CC=CC(=C3)C(F)(F)F)C#N

InChI

InChI=1S/C21H20F3N3O3/c1-2-30-20(29)15-5-4-9-26(13-15)19(28)18-14(12-25)8-10-27(18)17-7-3-6-16(11-17)21(22,23)24/h3,6-8,10-11,15H,2,4-5,9,13H2,1H3/t15-/m0/s1