[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(2,5-dimethylphenoxy)propanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-(2,5-dimethylphenoxy)propanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(2,5-dimethylphenoxy)propanoate CAS Name: 3-(2,5-dimethylphenoxy)propanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(2,5-dimethylphenoxy)propanoate Traditional Name: 3-(2,5-dimethylphenoxy)propionic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H22N2O4/c1-13-8-9-14(2)18(12-13)26-11-10-19(24)27-15(3)20-22-17-7-5-4-6-16(17)21(25)23-20/h4-9,12,15H,10-11H2,1-3H3,(H,22,23,25)/t15-/m1/s1