3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(o-tolyl)piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-(2-methylphenyl)-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-(o-tolyl)piperazino]propionic acid Formula: C14H18N2O3 MolecularWeight: 262.30432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)CC(=O)O

InChI

InChI=1S/C14H18N2O3/c1-11-4-2-3-5-12(11)15-6-8-16(9-7-15)13(17)10-14(18)19/h2-5H,6-10H2,1H3,(H,18,19)