methyl 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoate CAS Name: 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-5-pyrimidinyl]methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[4-butyl-6-(methoxymethyl)-2-methylpyrimidin-5-yl]methyl]phenyl]benzoate Traditional Name: 2-[4-[[4-butyl-6-(methoxymethyl)-2-methyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid methyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=NC(=N1)C)COC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=NC(=N1)C)COC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H30N2O3/c1-5-6-11-24-23(25(17-30-3)28-18(2)27-24)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26(29)31-4/h7-10,12-15H,5-6,11,16-17H2,1-4H3