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

Systemtic Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)propanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-(4-keto-6,7-dimethoxy-quinazolin-3-yl)propanoylamino]-3-phenyl-propionic acid methyl ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC(CC3=CC=CC=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC)OC

InChI

InChI=1S/C23H25N3O6/c1-30-19-12-16-17(13-20(19)31-2)24-14-26(22(16)28)10-9-21(27)25-18(23(29)32-3)11-15-7-5-4-6-8-15/h4-8,12-14,18H,9-11H2,1-3H3,(H,25,27)/t18-/m0/s1