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

Systemtic Name: 2-methoxyethyl 2-[(5-but-3-yn-2-yloxy-4-chloranyl-2-fluoranyl-phenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-[(4-methyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[5-but-3-yn-2-yloxy-4-chloro-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[(5-but-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-[(4-methylpyridin-3-yl)methyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-2-fluoro-5-(1-methylprop-2-ynoxy)phenyl]-[(4-methyl-3-pyridyl)methyl]carbamoyl]cyclohexene-1-carboxylic acid 2-methoxyethyl ester Formula: C28H30ClFN2O5 MolecularWeight: 528.999603

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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)C(=O)C3=C(CCCC3)C(=O)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClFN2O5/c1-5-19(3)37-26-15-25(24(30)14-23(26)29)32(17-20-16-31-11-10-18(20)2)27(33)21-8-6-7-9-22(21)28(34)36-13-12-35-4/h1,10-11,14-16,19H,6-9,12-13,17H2,2-4H3