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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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