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

Systemtic Name: 2-[(2R)-2-methyl-4-[(R)-(4-methylsulfanylphenyl)-phenyl-methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[(2R)-2-methyl-4-[(R)-(4-methylsulfanylphenyl)-phenyl-methyl]piperazin-1-yl]acetic acid CAS Name: 2-[(2R)-2-methyl-4-[(R)-[4-(methylthio)phenyl]-phenylmethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[(2R)-2-methyl-4-[(R)-(4-methylsulfanylphenyl)-phenylmethyl]piperazin-1-yl]acetic acid Traditional Name: 2-[(2R)-2-methyl-4-[(R)-[4-(methylthio)phenyl]-phenyl-methyl]piperazino]acetic acid Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-16-14-23(13-12-22(16)15-20(24)25)21(17-6-4-3-5-7-17)18-8-10-19(26-2)11-9-18/h3-11,16,21H,12-15H2,1-2H3,(H,24,25)/t16-,21-/m1/s1