methyl 4-methyl-3-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-4-(4-oxo-1H-quinazolin-2-yl)butyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[4-(4-oxo-1H-quinazolin-2-yl)butanoylamino]benzoate Traditional Name: 3-[4-(4-keto-1H-quinazolin-2-yl)butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H21N3O4/c1-13-10-11-14(21(27)28-2)12-17(13)23-19(25)9-5-8-18-22-16-7-4-3-6-15(16)20(26)24-18/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,23,25)(H,22,24,26)