(1S,2S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C19H25ClN2O3 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)[C@H]3CCCC[C@@H]3C(=O)O

InChI

InChI=1S/C19H25ClN2O3/c1-13-6-7-14(20)12-17(13)21-8-10-22(11-9-21)18(23)15-4-2-3-5-16(15)19(24)25/h6-7,12,15-16H,2-5,8-11H2,1H3,(H,24,25)/t15-,16-/m0/s1