2-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]benzoic acid Openeye Name: 2-[[(2R,6S)-2,6-bis(3-methyl-2-pyridyl)-1-piperidyl]methyl]benzoic acid CAS Name: 2-[[(2R,6S)-2,6-bis(3-methyl-2-pyridinyl)-1-piperidinyl]methyl]benzoic acid IUPAC Name: 2-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]benzoic acid Traditional Name: 2-[[(2R,6S)-2,6-bis(3-methyl-2-pyridyl)piperidino]methyl]benzoic acid Formula: C25H27N3O2 MolecularWeight: 401.50078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2CCCC(N2CC3=CC=CC=C3C(=O)O)C4=C(C=CC=N4)C

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2CCC[C@H](N2CC3=CC=CC=C3C(=O)O)C4=C(C=CC=N4)C

InChI

InChI=1S/C25H27N3O2/c1-17-8-6-14-26-23(17)21-12-5-13-22(24-18(2)9-7-15-27-24)28(21)16-19-10-3-4-11-20(19)25(29)30/h3-4,6-11,14-15,21-22H,5,12-13,16H2,1-2H3,(H,29,30)/t21-,22+