4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-4-keto-butyric acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-12-4-3-5-14(13(12)2)17-8-10-18(11-9-17)15(19)6-7-16(20)21/h3-5H,6-11H2,1-2H3,(H,20,21)