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

Systemtic Name: 3-[(3R,4R)-3,4-dimethyl-1-phenethyl-piperidin-4-yl]benzoic acid Openeye Name: 3-[(3R,4R)-3,4-dimethyl-1-phenethyl-4-piperidyl]benzoic acid CAS Name: 3-[(3R,4R)-3,4-dimethyl-1-phenethyl-4-piperidinyl]benzoic acid IUPAC Name: 3-[(3R,4R)-3,4-dimethyl-1-phenethylpiperidin-4-yl]benzoic acid Traditional Name: 3-[(3R,4R)-3,4-dimethyl-1-phenethyl-4-piperidyl]benzoic acid Formula: C22H27NO2 MolecularWeight: 337.45528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C)C2=CC=CC(=C2)C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[C@@]1(C)C2=CC=CC(=C2)C(=O)O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO2/c1-17-16-23(13-11-18-7-4-3-5-8-18)14-12-22(17,2)20-10-6-9-19(15-20)21(24)25/h3-10,15,17H,11-14,16H2,1-2H3,(H,24,25)/t17-,22+/m0/s1