2-(2,2-diphenylethanoyl)-1,6-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,2-diphenylethanoyl)-1,6-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,2-diphenylacetyl)-1,6-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 1,6-dimethoxy-2-(1-oxo-2,2-diphenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,2-diphenylacetyl)-1,6-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2,2-diphenylacetyl)-1,6-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=C(CC(N1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C=C(C=C2)OC

Isomeric SMILES

COC1C2=C(CC(N1C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O)C=C(C=C2)OC

InChI

InChI=1S/C26H25NO5/c1-31-20-13-14-21-19(15-20)16-22(26(29)30)27(25(21)32-2)24(28)23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,22-23,25H,16H2,1-2H3,(H,29,30)