methyl 3-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]-4-fluoranyl-benzoate

Systemtic Name: methyl 3-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]-4-fluoranyl-benzoate Openeye Name: methyl 3-[4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoylamino]-4-fluoro-benzoate CAS Name: 3-[[4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]-4-fluorobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]-4-fluorobenzoate Traditional Name: 4-fluoro-3-[4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butanoylamino]benzoic acid methyl ester Formula: C22H22FN3O6 MolecularWeight: 443.424983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=C(C=CC(=C3)C(=O)OC)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=C(C=CC(=C3)C(=O)OC)F)OC

InChI

InChI=1S/C22H22FN3O6/c1-30-18-10-14-16(11-19(18)31-2)24-12-26(21(14)28)8-4-5-20(27)25-17-9-13(22(29)32-3)6-7-15(17)23/h6-7,9-12H,4-5,8H2,1-3H3,(H,25,27)