(3S)-6,7-dimethoxy-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-6,7-dimethoxy-2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-6,7-dimethoxy-2-[2-(4-oxoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-6,7-dimethoxy-2-[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-6,7-dimethoxy-2-[2-(4-oxoquinazolin-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[2-(4-ketoquinazolin-3-yl)acetyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C22H20N3O6- MolecularWeight: 422.4107

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(CC2=C1)C(=O)[O-])C(=O)CN3C=NC4=CC=CC=C4C3=O)OC

Isomeric SMILES

COC1=C(C=C2CN([C@@H](CC2=C1)C(=O)[O-])C(=O)CN3C=NC4=CC=CC=C4C3=O)OC

InChI

InChI=1S/C22H21N3O6/c1-30-18-8-13-7-17(22(28)29)25(10-14(13)9-19(18)31-2)20(26)11-24-12-23-16-6-4-3-5-15(16)21(24)27/h3-6,8-9,12,17H,7,10-11H2,1-2H3,(H,28,29)/p-1/t17-/m0/s1