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

Systemtic Name: 5-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(2-methylbenzoyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(2-methylbenzoyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-(4-o-toluoylpiperazino)valeric acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-13-5-2-3-6-14(13)17(23)19-11-9-18(10-12-19)15(20)7-4-8-16(21)22/h2-3,5-6H,4,7-12H2,1H3,(H,21,22)