(3S)-2-(6,7-dimethoxyquinazolin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-(6,7-dimethoxyquinazolin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(6,7-dimethoxyquinazolin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(6,7-dimethoxy-4-quinazolinyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(6,7-dimethoxyquinazolin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-(6,7-dimethoxyquinazolin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(C(CC2=C1)C(=O)O)C3=NC=NC4=CC(=C(C=C43)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2CN([C@@H](CC2=C1)C(=O)O)C3=NC=NC4=CC(=C(C=C43)OC)OC)OC

InChI

InChI=1S/C22H23N3O6/c1-28-17-6-12-5-16(22(26)27)25(10-13(12)7-18(17)29-2)21-14-8-19(30-3)20(31-4)9-15(14)23-11-24-21/h6-9,11,16H,5,10H2,1-4H3,(H,26,27)/t16-/m0/s1