methyl (2Z)-2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2Z)-2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2Z)-2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylene]-3-oxo-butanoate CAS Name: (2Z)-2-[[2-(4-octoxyphenyl)-4-pyrimidinyl]methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2Z)-2-[[2-(4-octoxyphenyl)pyrimidin-4-yl]methylidene]-3-oxobutanoate Traditional Name: (Z)-2-acetyl-3-[2-(4-octoxyphenyl)pyrimidin-4-yl]acrylic acid methyl ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C=C(C(=O)C)C(=O)OC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)/C=C(/C(=O)C)\C(=O)OC

InChI

InChI=1S/C24H30N2O4/c1-4-5-6-7-8-9-16-30-21-12-10-19(11-13-21)23-25-15-14-20(26-23)17-22(18(2)27)24(28)29-3/h10-15,17H,4-9,16H2,1-3H3/b22-17-