4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-[1-(3,4-dimethylphenyl)ethyl]piperazino]-4-keto-butyric acid Formula: C18H26N2O3 MolecularWeight: 318.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)N2CCN(CC2)C(=O)CCC(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)N2CCN(CC2)C(=O)CCC(=O)O)C

InChI

InChI=1S/C18H26N2O3/c1-13-4-5-16(12-14(13)2)15(3)19-8-10-20(11-9-19)17(21)6-7-18(22)23/h4-5,12,15H,6-11H2,1-3H3,(H,22,23)