[5-[2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoyloxymethyl]-2-methyl-3-oxidanyl-pyridin-4-yl]methyl 5-methylpyridine-3-carboxylate

Systemtic Name: [5-[2-(3-chloranyl-4-prop-2-enoxy-phenyl)ethanoyloxymethyl]-2-methyl-3-oxidanyl-pyridin-4-yl]methyl 5-methylpyridine-3-carboxylate Openeye Name: [5-[[2-(4-allyloxy-3-chloro-phenyl)acetyl]oxymethyl]-3-hydroxy-2-methyl-4-pyridyl]methyl 5-methylpyridine-3-carboxylate CAS Name: 5-methyl-3-pyridinecarboxylic acid [5-[[2-(3-chloro-4-prop-2-enoxyphenyl)-1-oxoethoxy]methyl]-3-hydroxy-2-methyl-4-pyridinyl]methyl ester IUPAC Name: [5-[[2-(3-chloro-4-prop-2-enoxyphenyl)acetyl]oxymethyl]-3-hydroxy-2-methylpyridin-4-yl]methyl 5-methylpyridine-3-carboxylate Traditional Name: 5-methylnicotinic acid [5-[[2-(4-allyloxy-3-chloro-phenyl)acetyl]oxymethyl]-3-hydroxy-2-methyl-4-pyridyl]methyl ester Formula: C26H25ClN2O6 MolecularWeight: 496.9395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CC(=C1)C(=O)OCC2=C(C(=NC=C2COC(=O)CC3=CC(=C(C=C3)OCC=C)Cl)C)O

Isomeric SMILES

CC1=CN=CC(=C1)C(=O)OCC2=C(C(=NC=C2COC(=O)CC3=CC(=C(C=C3)OCC=C)Cl)C)O

InChI

InChI=1S/C26H25ClN2O6/c1-4-7-33-23-6-5-18(9-22(23)27)10-24(30)34-14-20-13-29-17(3)25(31)21(20)15-35-26(32)19-8-16(2)11-28-12-19/h4-6,8-9,11-13,31H,1,7,10,14-15H2,2-3H3