methyl 1-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)butanoylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)butanoylamino]cyclohexanecarboxylate CAS Name: 1-[[4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxobutyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoylamino]cyclohexane-1-carboxylate Traditional Name: 1-[4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)butanoylamino]cyclohexanecarboxylic acid methyl ester Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3(CCCCC3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3(CCCCC3)C(=O)OC)OC

InChI

InChI=1S/C22H29N3O6/c1-29-17-12-15-16(13-18(17)30-2)23-14-25(20(15)27)11-7-8-19(26)24-22(21(28)31-3)9-5-4-6-10-22/h12-14H,4-11H2,1-3H3,(H,24,26)