2-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[3-[(3-chloranyl-4-fluoranyl-phenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[3-[(3-chloro-4-fluoroanilino)-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[3-[(3-chloro-4-fluoro-phenyl)carbamoyl]phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H20ClFN2O4 MolecularWeight: 418.845903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC(=C(C=C3)F)Cl)C(=O)O

InChI

InChI=1S/C21H20ClFN2O4/c22-17-11-14(8-9-18(17)23)24-19(26)12-4-3-5-13(10-12)25-20(27)15-6-1-2-7-16(15)21(28)29/h3-5,8-11,15-16H,1-2,6-7H2,(H,24,26)(H,25,27)(H,28,29)