5-[4-(2-methylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(2-methylphenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(o-tolyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-(2-methylphenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(2-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-(o-tolyl)piperazino]valeric acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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