4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-oxidanylidene-butanoic acid Openeye Name: 3-oxo-4-[4-(p-tolylmethyl)piperazin-1-yl]butanoic acid CAS Name: 4-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-3-oxobutanoic acid IUPAC Name: 4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-oxobutanoic acid Traditional Name: 3-keto-4-[4-(4-methylbenzyl)piperazino]butyric acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)CC(=O)O

InChI

InChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)11-17-6-8-18(9-7-17)12-15(19)10-16(20)21/h2-5H,6-12H2,1H3,(H,20,21)