[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3-dimethoxyphenyl)acrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C22H19N3O5/c1-28-18-9-5-6-15(21(18)29-2)10-11-20(26)30-14-19-24-17-8-4-3-7-16(17)22(27)25(19)13-12-23/h3-11H,13-14H2,1-2H3/b11-10+