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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C

InChI

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