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

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2-ethoxyphenyl)-2-propenoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-o-phenetylacrylic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C22H19N3O4/c1-2-28-19-10-6-3-7-16(19)11-12-21(26)29-15-20-24-18-9-5-4-8-17(18)22(27)25(20)14-13-23/h3-12H,2,14-15H2,1H3/b12-11+