octyl 3-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate

Systemtic Name: octyl 3-[6-methyl-4-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoate Openeye Name: octyl 3-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-[6-methyl-4-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid octyl ester IUPAC Name: octyl 3-(2-benzyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(2-benzyl-4-keto-6-methyl-1H-pyrimidin-5-yl)propionic acid octyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC1=C(NC(=NC1=O)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCOC(=O)CCC1=C(NC(=NC1=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C23H32N2O3/c1-3-4-5-6-7-11-16-28-22(26)15-14-20-18(2)24-21(25-23(20)27)17-19-12-9-8-10-13-19/h8-10,12-13H,3-7,11,14-17H2,1-2H3,(H,24,25,27)