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

Systemtic Name: 2-[(4-chloranyl-2-fluoranyl-5-propan-2-yloxy-phenyl)-[(5-methoxycarbonylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylic acid Openeye Name: 2-[(4-chloro-2-fluoro-5-isopropoxy-phenyl)-[(5-methoxycarbonyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylic acid CAS Name: 2-[[4-chloro-2-fluoro-N-[(5-methoxycarbonyl-3-pyridinyl)methyl]-5-propan-2-yloxyanilino]-oxomethyl]-1-cyclohexenecarboxylic acid IUPAC Name: 2-[(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)-[(5-methoxycarbonylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxy-3-pyridyl)methyl-(4-chloro-2-fluoro-5-isopropoxy-phenyl)carbamoyl]cyclohexene-1-carboxylic acid Formula: C25H26ClFN2O6 MolecularWeight: 504.935143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C(=C1)N(CC2=CN=CC(=C2)C(=O)OC)C(=O)C3=C(CCCC3)C(=O)O)F)Cl

Isomeric SMILES

CC(C)OC1=C(C=C(C(=C1)N(CC2=CN=CC(=C2)C(=O)OC)C(=O)C3=C(CCCC3)C(=O)O)F)Cl

InChI

InChI=1S/C25H26ClFN2O6/c1-14(2)35-22-10-21(20(27)9-19(22)26)29(13-15-8-16(12-28-11-15)25(33)34-3)23(30)17-6-4-5-7-18(17)24(31)32/h8-12,14H,4-7,13H2,1-3H3,(H,31,32)