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

Systemtic Name: 2-[4-[(R)-(4-cyanophenyl)-phenyl-methyl]-2-methyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(R)-(4-cyanophenyl)-phenyl-methyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[(R)-(4-cyanophenyl)-phenylmethyl]-2-methyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(R)-(4-cyanophenyl)-phenylmethyl]-2-methylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[(R)-(4-cyanophenyl)-phenyl-methyl]-2-methyl-piperazino]acetic acid Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1CN(CCN1CC(=O)O)[C@H](C2=CC=CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H23N3O2/c1-16-14-24(12-11-23(16)15-20(25)26)21(18-5-3-2-4-6-18)19-9-7-17(13-22)8-10-19/h2-10,16,21H,11-12,14-15H2,1H3,(H,25,26)/t16?,21-/m1/s1