2-[[4-(4-fluorophenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[4-(4-fluorophenyl)-3-methoxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[4-(4-fluorophenyl)-3-methoxycarbonyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[4-(4-fluorophenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[4-(4-fluorophenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[3-carbomethoxy-4-(4-fluorophenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C20H20FNO5S MolecularWeight: 405.439903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C20H20FNO5S/c1-27-20(26)16-15(11-6-8-12(21)9-7-11)10-28-18(16)22-17(23)13-4-2-3-5-14(13)19(24)25/h6-10,13-14H,2-5H2,1H3,(H,22,23)(H,24,25)