2-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]benzoic acid

Systemtic Name: 2-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]benzoic acid Openeye Name: 2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoic acid CAS Name: 2-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-oxomethyl]benzoic acid IUPAC Name: 2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoic acid Traditional Name: 2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]benzoic acid Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)C3=CC=CC=C3C(=O)O)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)C3=CC=CC=C3C(=O)O)OC)OC

InChI

InChI=1S/C20H21NO5/c1-12-16-11-18(26-3)17(25-2)10-13(16)8-9-21(12)19(22)14-6-4-5-7-15(14)20(23)24/h4-7,10-12H,8-9H2,1-3H3,(H,23,24)/t12-/m0/s1