2-[2,2-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-benzoic acid

Systemtic Name: 2-[2,2-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4,6-dimethyl-benzoic acid Openeye Name: 2-[2,2-dimethyl-3-[3-methyl-4-(m-tolyl)piperazin-1-yl]-3-oxo-propyl]-4,6-dimethyl-benzoic acid CAS Name: 2-[2,2-dimethyl-3-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-3-oxopropyl]-4,6-dimethylbenzoic acid IUPAC Name: 2-[2,2-dimethyl-3-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-4,6-dimethylbenzoic acid Traditional Name: 2-[3-keto-2,2-dimethyl-3-[3-methyl-4-(m-tolyl)piperazino]propyl]-4,6-dimethyl-benzoic acid Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C(C)(C)CC3=CC(=CC(=C3C(=O)O)C)C

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)C(C)(C)CC3=CC(=CC(=C3C(=O)O)C)C

InChI

InChI=1S/C26H34N2O3/c1-17-8-7-9-22(14-17)28-11-10-27(16-20(28)4)25(31)26(5,6)15-21-13-18(2)12-19(3)23(21)24(29)30/h7-9,12-14,20H,10-11,15-16H2,1-6H3,(H,29,30)