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

Systemtic Name: 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)O)CC(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)O)CC(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H27NO4/c1-30-24-15-20-13-14-27(26(28)29)23(22(20)17-25(24)31-2)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,17,21,23H,13-14,16H2,1-2H3,(H,28,29)