(1S,6R)-6-(4-cyclohexylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-(4-cyclohexylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-(4-cyclohexylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-(4-cyclohexylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-(4-cyclohexylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C18H28N2O3 MolecularWeight: 320.42652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)[C@@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C18H28N2O3/c21-17(15-8-4-5-9-16(15)18(22)23)20-12-10-19(11-13-20)14-6-2-1-3-7-14/h4-5,14-16H,1-3,6-13H2,(H,22,23)/t15-,16+/m1/s1