[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H20N2O4/c1-14-7-8-15(2)17(11-14)19(24)12-27-20(25)9-10-23-13-22-18-6-4-3-5-16(18)21(23)26/h3-8,11,13H,9-10,12H2,1-2H3