2-[1,4-bis(2,5-dimethylphenyl)-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[1,4-bis(2,5-dimethylphenyl)-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[1,4-bis(2,5-dimethylphenyl)-3-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[1,4-bis(2,5-dimethylphenyl)-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[1,4-bis(2,5-dimethylphenyl)-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[1,4-bis(2,5-dimethylphenyl)-3-keto-piperazin-2-yl]acetic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-14-5-7-16(3)18(11-14)23-9-10-24(22(27)20(23)13-21(25)26)19-12-15(2)6-8-17(19)4/h5-8,11-12,20H,9-10,13H2,1-4H3,(H,25,26)