(1R,2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[4-(2-fluorophenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[4-(2-fluorophenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C18H23FN2O3 MolecularWeight: 334.385223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)O

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F)C(=O)O

InChI

InChI=1S/C18H23FN2O3/c19-15-7-3-4-8-16(15)20-9-11-21(12-10-20)17(22)13-5-1-2-6-14(13)18(23)24/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,23,24)/t13-,14+/m0/s1