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

Systemtic Name: methyl 2-[[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]benzoate Openeye Name: methyl 2-[[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)-1-piperidyl]methyl]benzoate CAS Name: 2-[[(2S,6R)-2,6-bis(3-methyl-2-pyridinyl)-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2S,6R)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]benzoate Traditional Name: 2-[[(2S,6R)-2,6-bis(3-methyl-2-pyridyl)piperidino]methyl]benzoic acid methyl ester Formula: C26H29N3O2 MolecularWeight: 415.52736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O2/c1-18-9-7-15-27-24(18)22-13-6-14-23(25-19(2)10-8-16-28-25)29(22)17-20-11-4-5-12-21(20)26(30)31-3/h4-5,7-12,15-16,22-23H,6,13-14,17H2,1-3H3/t22-,23+