methyl 2-[4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-oxo-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(4-keto-6-propyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid methyl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCC1=C(C(=O)N=CN1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H22N2O3/c1-3-6-20-19(21(25)24-14-23-20)13-15-9-11-16(12-10-15)17-7-4-5-8-18(17)22(26)27-2/h4-5,7-12,14H,3,6,13H2,1-2H3,(H,23,24,25)