methyl 4-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]benzoate

Systemtic Name: methyl 4-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]benzoate Openeye Name: methyl 4-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]benzoate CAS Name: 4-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]benzoate Traditional Name: 4-[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]benzoic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c1-27-20(26)13-9-11-14(12-10-13)21-18(24)8-4-7-17-22-16-6-3-2-5-15(16)19(25)23-17/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,21,24)(H,22,23,25)