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

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O5/c1-14(26)15-6-4-7-16(12-15)23-20(27)13-30-21(28)11-5-10-19-24-18-9-3-2-8-17(18)22(29)25-19/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,23,27)(H,24,25,29)