(1S,6R)-6-[4-(3-chlorophenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[4-(3-chlorophenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[4-(3-chlorophenyl)-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[4-(3-chlorophenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C18H21ClN2O3/c19-13-4-3-5-14(12-13)20-8-10-21(11-9-20)17(22)15-6-1-2-7-16(15)18(23)24/h1-5,12,15-16H,6-11H2,(H,23,24)/t15-,16+/m1/s1