methyl 9-(2-oxidanylidene-4,5-diphenyl-pyrimidin-1-yl)nonanoate

Systemtic Name: methyl 9-(2-oxidanylidene-4,5-diphenyl-pyrimidin-1-yl)nonanoate Openeye Name: methyl 9-(2-oxo-4,5-diphenyl-pyrimidin-1-yl)nonanoate CAS Name: 9-(2-oxo-4,5-diphenyl-1-pyrimidinyl)nonanoic acid methyl ester IUPAC Name: methyl 9-(2-oxo-4,5-diphenylpyrimidin-1-yl)nonanoate Traditional Name: 9-(2-keto-4,5-diphenyl-pyrimidin-1-yl)pelargonic acid methyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCN1C=C(C(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCCN1C=C(C(=NC1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O3/c1-31-24(29)18-12-4-2-3-5-13-19-28-20-23(21-14-8-6-9-15-21)25(27-26(28)30)22-16-10-7-11-17-22/h6-11,14-17,20H,2-5,12-13,18-19H2,1H3