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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O3/c19-13-5-7-14(8-6-13)20-9-11-21(12-10-20)17(22)15-3-1-2-4-16(15)18(23)24/h1-2,5-8,15-16H,3-4,9-12H2,(H,23,24)/t15-,16+/m0/s1