(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 3-(3,5-dimethoxyphenyl)propanoate Traditional Name: 3-(3,5-dimethoxyphenyl)propionic acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-13-5-4-6-17-20(13)22-18(23-21(17)25)12-28-19(24)8-7-14-9-15(26-2)11-16(10-14)27-3/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,23,25)