3-[(3R,4R)-3,4-dimethyl-1-piperidin-4-yl-piperidin-4-yl]benzoic acid

Systemtic Name: 3-[(3R,4R)-3,4-dimethyl-1-piperidin-4-yl-piperidin-4-yl]benzoic acid Openeye Name: 3-[(3R,4R)-3,4-dimethyl-1-(4-piperidyl)-4-piperidyl]benzoic acid CAS Name: 3-[(3R,4R)-3,4-dimethyl-1-(4-piperidinyl)-4-piperidinyl]benzoic acid IUPAC Name: 3-[(3R,4R)-3,4-dimethyl-1-piperidin-4-ylpiperidin-4-yl]benzoic acid Traditional Name: 3-[(3R,4R)-3,4-dimethyl-1-(4-piperidyl)-4-piperidyl]benzoic acid Formula: C19H28N2O2 MolecularWeight: 316.43782

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC=CC(=C2)C(=O)O)C3CCNCC3

Isomeric SMILES

C[C@H]1CN(CC[C@@]1(C)C2=CC=CC(=C2)C(=O)O)C3CCNCC3

InChI

InChI=1S/C19H28N2O2/c1-14-13-21(17-6-9-20-10-7-17)11-8-19(14,2)16-5-3-4-15(12-16)18(22)23/h3-5,12,14,17,20H,6-11,13H2,1-2H3,(H,22,23)/t14-,19+/m0/s1