2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)-[(4-methyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]-5-propan-2-yloxyanilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)-[(4-methyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylic acid Formula: C24H26ClFN2O4 MolecularWeight: 460.925643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)CN(C2=CC(=C(C=C2F)Cl)OC(C)C)C(=O)C3=C(CCCC3)C(=O)O

Isomeric SMILES

CC1=C(C=NC=C1)CN(C2=CC(=C(C=C2F)Cl)OC(C)C)C(=O)C3=C(CCCC3)C(=O)O

InChI

InChI=1S/C24H26ClFN2O4/c1-14(2)32-22-11-21(20(26)10-19(22)25)28(13-16-12-27-9-8-15(16)3)23(29)17-6-4-5-7-18(17)24(30)31/h8-12,14H,4-7,13H2,1-3H3,(H,30,31)