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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dimethoxyphenyl)-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-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=C(C=C(C=C1)C=CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N)OC

InChI

InChI=1S/C22H19N3O5/c1-28-18-9-7-15(13-19(18)29-2)8-10-21(26)30-14-20-24-17-6-4-3-5-16(17)22(27)25(20)12-11-23/h3-10,13H,12,14H2,1-2H3/b10-8+