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

Systemtic Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)propanoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[3-(4-keto-6,7-dimethoxy-quinazolin-3-yl)propanoylamino]-3-methyl-butyric acid methyl ester Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)CCN1C=NC2=CC(=C(C=C2C1=O)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CCN1C=NC2=CC(=C(C=C2C1=O)OC)OC

InChI

InChI=1S/C19H25N3O6/c1-11(2)17(19(25)28-5)21-16(23)6-7-22-10-20-13-9-15(27-4)14(26-3)8-12(13)18(22)24/h8-11,17H,6-7H2,1-5H3,(H,21,23)/t17-/m0/s1