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

Systemtic Name: 6-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(4-cyclohexylphenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-cyclohexylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3-carbomethoxy-4-(4-cyclohexylphenyl)-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4CC=CCC4C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)C3CCCCC3)NC(=O)C4CC=CCC4C(=O)O

InChI

InChI=1S/C26H29NO5S/c1-32-26(31)22-21(18-13-11-17(12-14-18)16-7-3-2-4-8-16)15-33-24(22)27-23(28)19-9-5-6-10-20(19)25(29)30/h5-6,11-16,19-20H,2-4,7-10H2,1H3,(H,27,28)(H,29,30)