(1S,2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[4-(2-chlorophenyl)piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[4-(2-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[4-(2-chlorophenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[4-(2-chlorophenyl)piperazine-1-carbonyl]cyclohexanecarboxylate Formula: C18H22ClN2O3- MolecularWeight: 349.83188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)N2CCN(CC2)C3=CC=CC=C3Cl)C(=O)[O-]

InChI

InChI=1S/C18H23ClN2O3/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)/p-1/t13-,14-/m0/s1