[2-methyl-5-[2-[4-(2-methylpropyl)phenyl]propanoyloxymethyl]-3-oxidanyl-pyridin-4-yl]methyl 5-methylpyridine-3-carboxylate

Systemtic Name: [2-methyl-5-[2-[4-(2-methylpropyl)phenyl]propanoyloxymethyl]-3-oxidanyl-pyridin-4-yl]methyl 5-methylpyridine-3-carboxylate Openeye Name: [3-hydroxy-5-[2-(4-isobutylphenyl)propanoyloxymethyl]-2-methyl-4-pyridyl]methyl 5-methylpyridine-3-carboxylate CAS Name: 5-methyl-3-pyridinecarboxylic acid [3-hydroxy-2-methyl-5-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropoxy]methyl]-4-pyridinyl]methyl ester IUPAC Name: [3-hydroxy-2-methyl-5-[2-[4-(2-methylpropyl)phenyl]propanoyloxymethyl]pyridin-4-yl]methyl 5-methylpyridine-3-carboxylate Traditional Name: 5-methylnicotinic acid [3-hydroxy-5-[2-(4-isobutylphenyl)propanoyloxymethyl]-2-methyl-4-pyridyl]methyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O5/c1-17(2)10-21-6-8-22(9-7-21)19(4)27(32)34-15-24-14-30-20(5)26(31)25(24)16-35-28(33)23-11-18(3)12-29-13-23/h6-9,11-14,17,19,31H,10,15-16H2,1-5H3