1,7-dipyridin-3-ylheptan-4-yl piperidine-4-carboxylate

Systemtic Name: 1,7-dipyridin-3-ylheptan-4-yl piperidine-4-carboxylate Openeye Name: [4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid 1,7-bis(3-pyridinyl)heptan-4-yl ester IUPAC Name: 1,7-dipyridin-3-ylheptan-4-yl piperidine-4-carboxylate Traditional Name: isonipecotic acid [4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] ester Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)OC(CCCC2=CN=CC=C2)CCCC3=CN=CC=C3

Isomeric SMILES

C1CNCCC1C(=O)OC(CCCC2=CN=CC=C2)CCCC3=CN=CC=C3

InChI

InChI=1S/C23H31N3O2/c27-23(21-11-15-24-16-12-21)28-22(9-1-5-19-7-3-13-25-17-19)10-2-6-20-8-4-14-26-18-20/h3-4,7-8,13-14,17-18,21-22,24H,1-2,5-6,9-12,15-16H2