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

Systemtic Name: ethyl (3S)-1-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]nipecotic acid ethyl ester Formula: C18H22ClN3O2 MolecularWeight: 347.83918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3O2/c1-2-24-18(23)14-6-4-10-21(12-14)13-15-7-5-11-22(15)16-8-3-9-20-17(16)19/h3,5,7-9,11,14H,2,4,6,10,12-13H2,1H3/t14-/m0/s1