4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(2-methylbenzoyl)piperazin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(2-methylbenzoyl)piperazin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-o-toluoylpiperazino)butyric acid Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H20N2O4/c1-12-4-2-3-5-13(12)16(22)18-10-8-17(9-11-18)14(19)6-7-15(20)21/h2-5H,6-11H2,1H3,(H,20,21)