2-[(2R)-2-methyl-4-[(R)-(3-methylphenyl)-phenyl-methyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[(2R)-2-methyl-4-[(R)-(3-methylphenyl)-phenyl-methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[(2R)-2-methyl-4-[(R)-m-tolyl(phenyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[(2R)-2-methyl-4-[(R)-(3-methylphenyl)-phenylmethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[(2R)-2-methyl-4-[(R)-(3-methylphenyl)-phenylmethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[(2R)-2-methyl-4-[(R)-m-tolyl(phenyl)methyl]piperazino]acetic acid Formula: C21H26N2O2 MolecularWeight: 338.44334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)O)C(C2=CC=CC=C2)C3=CC=CC(=C3)C

Isomeric SMILES

C[C@@H]1CN(CCN1CC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=CC(=C3)C

InChI

InChI=1S/C21H26N2O2/c1-16-7-6-10-19(13-16)21(18-8-4-3-5-9-18)23-12-11-22(15-20(24)25)17(2)14-23/h3-10,13,17,21H,11-12,14-15H2,1-2H3,(H,24,25)/t17-,21-/m1/s1