ethyl (E)-3-[4-[2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[[2-(8-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[[2-(8-methyl-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[[2-(4-keto-8-methyl-quinazolin-3-yl)acetyl]amino]phenyl]acrylic acid ethyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC=C3C

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=CC=C3C

InChI

InChI=1S/C22H21N3O4/c1-3-29-20(27)12-9-16-7-10-17(11-8-16)24-19(26)13-25-14-23-21-15(2)5-4-6-18(21)22(25)28/h4-12,14H,3,13H2,1-2H3,(H,24,26)/b12-9+