2-[(2S)-1,4-bis(4-methylphenyl)-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-1,4-bis(4-methylphenyl)-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-3-oxo-1,4-bis(p-tolyl)piperazin-2-yl]acetic acid CAS Name: 2-[(2S)-1,4-bis(4-methylphenyl)-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[(2S)-1,4-bis(4-methylphenyl)-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-1,4-bis(p-tolyl)piperazin-2-yl]acetic acid Formula: C20H22N2O3 MolecularWeight: 338.40028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(C(=O)C2CC(=O)O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(C(=O)[C@@H]2CC(=O)O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H22N2O3/c1-14-3-7-16(8-4-14)21-11-12-22(17-9-5-15(2)6-10-17)20(25)18(21)13-19(23)24/h3-10,18H,11-13H2,1-2H3,(H,23,24)/t18-/m0/s1