6-[[2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[2-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C21H18ClFN2O4 MolecularWeight: 416.830023

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C21H18ClFN2O4/c22-16-11-12(9-10-17(16)23)24-20(27)15-7-3-4-8-18(15)25-19(26)13-5-1-2-6-14(13)21(28)29/h1-4,7-11,13-14H,5-6H2,(H,24,27)(H,25,26)(H,28,29)