[2,4,6-trimethyl-3-(pyridin-4-ylcarbonyloxymethyl)phenyl]methyl pyridine-4-carboxylate

Systemtic Name: [2,4,6-trimethyl-3-(pyridin-4-ylcarbonyloxymethyl)phenyl]methyl pyridine-4-carboxylate Openeye Name: [2,4,6-trimethyl-3-(pyridine-4-carbonyloxymethyl)phenyl]methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2,4,6-trimethyl-3-[[oxo(pyridin-4-yl)methoxy]methyl]phenyl]methyl ester IUPAC Name: [2,4,6-trimethyl-3-(pyridine-4-carbonyloxymethyl)phenyl]methyl pyridine-4-carboxylate Traditional Name: isonicotinic acid [3-(isonicotinoyloxymethyl)-2,4,6-trimethyl-benzyl] ester Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1COC(=O)C2=CC=NC=C2)C)COC(=O)C3=CC=NC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1COC(=O)C2=CC=NC=C2)C)COC(=O)C3=CC=NC=C3)C

InChI

InChI=1S/C23H22N2O4/c1-15-12-16(2)21(14-29-23(27)19-6-10-25-11-7-19)17(3)20(15)13-28-22(26)18-4-8-24-9-5-18/h4-12H,13-14H2,1-3H3