methyl 8-(2-oxidanylidene-4,5-diphenyl-pyrimidin-1-yl)octanoate

Systemtic Name: methyl 8-(2-oxidanylidene-4,5-diphenyl-pyrimidin-1-yl)octanoate Openeye Name: methyl 8-(2-oxo-4,5-diphenyl-pyrimidin-1-yl)octanoate CAS Name: 8-(2-oxo-4,5-diphenyl-1-pyrimidinyl)octanoic acid methyl ester IUPAC Name: methyl 8-(2-oxo-4,5-diphenylpyrimidin-1-yl)octanoate Traditional Name: 8-(2-keto-4,5-diphenyl-pyrimidin-1-yl)caprylic acid methyl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCN1C=C(C(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCN1C=C(C(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3/c1-30-23(28)17-11-3-2-4-12-18-27-19-22(20-13-7-5-8-14-20)24(26-25(27)29)21-15-9-6-10-16-21/h5-10,13-16,19H,2-4,11-12,17-18H2,1H3