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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CCN2C=NC3=CC=CC=C3C2=O)C)C

InChI

InChI=1S/C22H22N2O4/c1-14-10-16(3)18(11-15(14)2)20(25)12-28-21(26)8-9-24-13-23-19-7-5-4-6-17(19)22(24)27/h4-7,10-11,13H,8-9,12H2,1-3H3