6-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonyl-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(4-cyclohexylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-cyclohexylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbethoxy-4-(4-cyclohexylphenyl)-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C29H35NO5S MolecularWeight: 509.6569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4CC(=C(CC4C(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4CC(=C(CC4C(=O)O)C)C

InChI

InChI=1S/C29H35NO5S/c1-4-35-29(34)25-24(21-12-10-20(11-13-21)19-8-6-5-7-9-19)16-36-27(25)30-26(31)22-14-17(2)18(3)15-23(22)28(32)33/h10-13,16,19,22-23H,4-9,14-15H2,1-3H3,(H,30,31)(H,32,33)