ethyl 1-[1-(pyridin-4-ylmethyl)piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(pyridin-4-ylmethyl)piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-pyridylmethyl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[1-(pyridin-4-ylmethyl)-3-piperidinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(pyridin-4-ylmethyl)piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-pyridylmethyl)nipecotoyl]isonipecotic acid ethyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCCN(C2)CC3=CC=NC=C3

InChI

InChI=1S/C20H29N3O3/c1-2-26-20(25)17-7-12-23(13-8-17)19(24)18-4-3-11-22(15-18)14-16-5-9-21-10-6-16/h5-6,9-10,17-18H,2-4,7-8,11-15H2,1H3