methyl 4-methyl-3-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(8-methyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(8-methyl-4-oxo-quinazolin-3-yl)propanoylamino]benzoate CAS Name: 4-methyl-3-[[3-(8-methyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate Traditional Name: 3-[3-(4-keto-8-methyl-quinazolin-3-yl)propanoylamino]-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)CCN2C=NC3=C(C2=O)C=CC=C3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCN2C=NC3=C(C2=O)C=CC=C3C

InChI

InChI=1S/C21H21N3O4/c1-13-7-8-15(21(27)28-3)11-17(13)23-18(25)9-10-24-12-22-19-14(2)5-4-6-16(19)20(24)26/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)