(1R,6S)-6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C19H23ClN2O3 MolecularWeight: 362.85052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN2O3/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/h2-3,6-7,12,15-16H,4-5,8-11H2,1H3,(H,24,25)/t15-,16+/m0/s1