3-[4-(2,4-dimethylphenyl)piperazin-1-yl]carbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-[4-(2,4-dimethylphenyl)piperazin-1-yl]carbonyl-2,2,3-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[4-(2,4-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2,2,3-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2,2,3-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2,2,3-trimethyl-cyclopentanecarboxylic acid Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3(CCC(C3(C)C)C(=O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3(CCC(C3(C)C)C(=O)O)C)C

InChI

InChI=1S/C22H32N2O3/c1-15-6-7-18(16(2)14-15)23-10-12-24(13-11-23)20(27)22(5)9-8-17(19(25)26)21(22,3)4/h6-7,14,17H,8-13H2,1-5H3,(H,25,26)