4-[4-[(5-chloranyl-2-methoxy-phenyl)carbamoylamino]-2-fluoranyl-phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[4-[(5-chloranyl-2-methoxy-phenyl)carbamoylamino]-2-fluoranyl-phenyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[4-[(5-chloro-2-methoxy-phenyl)carbamoylamino]-2-fluoro-phenyl]cyclohexanecarboxylic acid CAS Name: 4-[4-[[(5-chloro-2-methoxyanilino)-oxomethyl]amino]-2-fluorophenyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-2-fluorophenyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[4-[(5-chloro-2-methoxy-phenyl)carbamoylamino]-2-fluoro-phenyl]cyclohexanecarboxylic acid Formula: C21H22ClFN2O4 MolecularWeight: 420.861783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC(=C(C=C2)C3CCC(CC3)C(=O)O)F

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC(=C(C=C2)C3CCC(CC3)C(=O)O)F

InChI

InChI=1S/C21H22ClFN2O4/c1-29-19-9-6-14(22)10-18(19)25-21(28)24-15-7-8-16(17(23)11-15)12-2-4-13(5-3-12)20(26)27/h6-13H,2-5H2,1H3,(H,26,27)(H2,24,25,28)