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

Systemtic Name: 2-[(2S)-4-[(R)-(3-bromophenyl)-phenyl-methyl]-2-methyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[(R)-(3-bromophenyl)-phenyl-methyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[(2S)-4-[(R)-(3-bromophenyl)-phenylmethyl]-2-methyl-1-piperazinyl]acetic acid IUPAC Name: 2-[(2S)-4-[(R)-(3-bromophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid Traditional Name: 2-[(2S)-4-[(R)-(3-bromophenyl)-phenyl-methyl]-2-methyl-piperazino]acetic acid Formula: C20H23BrN2O2 MolecularWeight: 403.31282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O2/c1-15-13-23(11-10-22(15)14-19(24)25)20(16-6-3-2-4-7-16)17-8-5-9-18(21)12-17/h2-9,12,15,20H,10-11,13-14H2,1H3,(H,24,25)/t15-,20+/m0/s1