ethyl (3S)-1-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[1-(4-cyanophenyl)-2-pyrrolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[1-(4-cyanophenyl)pyrrol-2-yl]methyl]nipecotic acid ethyl ester Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CC=CN2C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CC2=CC=CN2C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N3O2/c1-2-25-20(24)17-5-3-11-22(14-17)15-19-6-4-12-23(19)18-9-7-16(13-21)8-10-18/h4,6-10,12,17H,2-3,5,11,14-15H2,1H3/t17-/m0/s1