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

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C22H23N3O4/c1-14-10-11-16(12-15(14)2)23-20(26)13-29-21(27)9-5-8-19-24-18-7-4-3-6-17(18)22(28)25-19/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,23,26)(H,24,25,28)