2-[(1R)-6,7-dimethoxy-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[(1R)-6,7-dimethoxy-2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[(1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[(1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[(1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[(1R)-2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C3=CC=CC=C3)CC(=O)O)OC

InChI

InChI=1S/C20H21NO5/c1-25-17-10-14-8-9-21(20(24)13-6-4-3-5-7-13)16(12-19(22)23)15(14)11-18(17)26-2/h3-7,10-11,16H,8-9,12H2,1-2H3,(H,22,23)/t16-/m1/s1