2-methoxyethyl 2-[(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: 2-methoxyethyl 2-[(4-chloranyl-2-fluoranyl-5-prop-2-enoxy-phenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-[(4-methyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]-5-prop-2-enoxyanilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[(5-allyloxy-4-chloro-2-fluoro-phenyl)-[(4-methyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylic acid 2-methoxyethyl ester Formula: C27H30ClFN2O5 MolecularWeight: 516.988903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClFN2O5/c1-4-11-35-25-15-24(23(29)14-22(25)28)31(17-19-16-30-10-9-18(19)2)26(32)20-7-5-6-8-21(20)27(33)36-13-12-34-3/h4,9-10,14-16H,1,5-8,11-13,17H2,2-3H3