[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)CCCC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)CCCC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C22H20N4O4/c23-13-12-15-8-10-16(11-9-15)24-20(27)14-30-21(28)7-3-6-19-25-18-5-2-1-4-17(18)22(29)26-19/h1-2,4-5,8-11H,3,6-7,12,14H2,(H,24,27)(H,25,26,29)