6-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[4-(4-methylphenyl)carbonylpiperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[4-(4-methylbenzoyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-(4-p-toluoylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC=CCC3C(=O)O

InChI

InChI=1S/C20H24N2O4/c1-14-6-8-15(9-7-14)18(23)21-10-12-22(13-11-21)19(24)16-4-2-3-5-17(16)20(25)26/h2-3,6-9,16-17H,4-5,10-13H2,1H3,(H,25,26)