(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-propenoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]acrylic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C=CC3=CC(=C(C=C3)OCC(=O)N)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)/C=C/C3=CC(=C(C=C3)OCC(=O)N)OC

InChI

InChI=1S/C22H21N3O6/c1-13-4-3-5-15-21(13)24-19(25-22(15)28)12-31-20(27)9-7-14-6-8-16(17(10-14)29-2)30-11-18(23)26/h3-10H,11-12H2,1-2H3,(H2,23,26)(H,24,25,28)/b9-7+