(4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H20N2O6/c1-26-16-10-13(11-17(27-2)20(16)28-3)8-9-19(24)29-12-18-22-15-7-5-4-6-14(15)21(25)23-18/h4-11H,12H2,1-3H3,(H,22,23,25)/b9-8+