ethyl 4-[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methylamino]benzoate

Systemtic Name: ethyl 4-[[2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-quinazolin-6-yl]methylamino]benzoate Openeye Name: ethyl 4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methylamino]benzoate CAS Name: 4-[[2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-quinazolin-6-yl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2,2-dimethylpropanoylamino)-4-oxo-1H-quinazolin-6-yl]methylamino]benzoate Traditional Name: 4-[[4-keto-2-(pivaloylamino)-1H-quinazolin-6-yl]methylamino]benzoic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)NC(=NC3=O)NC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)NC(=NC3=O)NC(=O)C(C)(C)C

InChI

InChI=1S/C23H26N4O4/c1-5-31-20(29)15-7-9-16(10-8-15)24-13-14-6-11-18-17(12-14)19(28)26-22(25-18)27-21(30)23(2,3)4/h6-12,24H,5,13H2,1-4H3,(H2,25,26,27,28,30)