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

Systemtic Name: methyl 4-[[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]methyl]benzoate CAS Name: 4-[[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]methyl]benzoic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-28-21(27)15-11-9-14(10-12-15)13-22-19(25)8-4-7-18-23-17-6-3-2-5-16(17)20(26)24-18/h2-3,5-6,9-12H,4,7-8,13H2,1H3,(H,22,25)(H,23,24,26)