methyl (2S)-2-[2-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[2-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl (2S)-2-[[2-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)acetyl]amino]-3-methyl-pentanoate CAS Name: (2S)-2-[[2-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methylpentanoate Traditional Name: (2S)-2-[[2-(4-keto-6,7-dimethoxy-quinazolin-3-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C=NC2=CC(=C(C=C2C1=O)OC)OC

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC)NC(=O)CN1C=NC2=CC(=C(C=C2C1=O)OC)OC

InChI

InChI=1S/C19H25N3O6/c1-6-11(2)17(19(25)28-5)21-16(23)9-22-10-20-13-8-15(27-4)14(26-3)7-12(13)18(22)24/h7-8,10-11,17H,6,9H2,1-5H3,(H,21,23)/t11?,17-/m0/s1