[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(3,4-dimethoxyphenyl)propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-13(20-22-16-7-5-4-6-15(16)21(25)23-20)28-19(24)11-9-14-8-10-17(26-2)18(12-14)27-3/h4-8,10,12-13H,9,11H2,1-3H3,(H,22,23,25)/t13-/m1/s1