tert-butyl (E)-3-[3-(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[3-(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]prop-2-enoate Openeye Name: tert-butyl (E)-3-[3-(8-methyl-4-oxo-1H-quinazolin-2-yl)-4-propoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-(8-methyl-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-[3-(8-methyl-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-(4-keto-8-methyl-1H-quinazolin-2-yl)-4-propoxy-phenyl]acrylic acid tert-butyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)OC(C)(C)C)C2=NC(=O)C3=C(N2)C(=CC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)OC(C)(C)C)C2=NC(=O)C3=C(N2)C(=CC=C3)C

InChI

InChI=1S/C25H28N2O4/c1-6-14-30-20-12-10-17(11-13-21(28)31-25(3,4)5)15-19(20)23-26-22-16(2)8-7-9-18(22)24(29)27-23/h7-13,15H,6,14H2,1-5H3,(H,26,27,29)/b13-11+