[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-14-6-5-7-15(2)20(14)23-18(25)12-28-19(26)10-11-24-13-22-17-9-4-3-8-16(17)21(24)27/h3-9,13H,10-12H2,1-2H3,(H,23,25)