methyl 2-[4-[(2-butyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(2-butyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(2-butyl-4-methyl-6-oxo-pyrimidin-1-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(2-butyl-4-methyl-6-oxo-1-pyrimidinyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(2-butyl-4-methyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(2-butyl-6-keto-4-methyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid methyl ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CCCCC1=NC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC)C

InChI

InChI=1S/C24H26N2O3/c1-4-5-10-22-25-17(2)15-23(27)26(22)16-18-11-13-19(14-12-18)20-8-6-7-9-21(20)24(28)29-3/h6-9,11-15H,4-5,10,16H2,1-3H3