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

Systemtic Name: 3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[4-(4-fluorobenzyl)piperazine-1-carbonyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid Formula: C21H29FN2O3 MolecularWeight: 376.464963

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)O)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H29FN2O3/c1-20(2)17(8-9-21(20,3)19(26)27)18(25)24-12-10-23(11-13-24)14-15-4-6-16(22)7-5-15/h4-7,17H,8-14H2,1-3H3,(H,26,27)