3,3-dimethyl-5-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3,3-dimethyl-5-[4-(4-methylphenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 3,3-dimethyl-5-[4-(4-methylbenzoyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 3,3-dimethyl-5-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 3,3-dimethyl-5-[4-(4-methylbenzoyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(4-p-toluoylpiperazino)valeric acid Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-14-4-6-15(7-5-14)18(25)21-10-8-20(9-11-21)16(22)12-19(2,3)13-17(23)24/h4-7H,8-13H2,1-3H3,(H,23,24)