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

Systemtic Name: (1S,2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[4-(4-chlorobenzyl)piperazine-1-carbonyl]cyclohexanecarboxylate Formula: C19H24ClN2O3- MolecularWeight: 363.85846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C19H25ClN2O3/c20-15-7-5-14(6-8-15)13-21-9-11-22(12-10-21)18(23)16-3-1-2-4-17(16)19(24)25/h5-8,16-17H,1-4,9-13H2,(H,24,25)/p-1/t16-,17+/m1/s1