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

Systemtic Name: 2-[(1R)-2-(2-cyclopentylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[(1R)-2-(2-cyclopentylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[(1R)-2-(2-cyclopentyl-1-oxoethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[(1R)-2-(2-cyclopentylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[(1R)-2-(2-cyclopentylacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CC3CCCC3)CC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)CC3CCCC3)CC(=O)O)OC

InChI

InChI=1S/C20H27NO5/c1-25-17-10-14-7-8-21(19(22)9-13-5-3-4-6-13)16(12-20(23)24)15(14)11-18(17)26-2/h10-11,13,16H,3-9,12H2,1-2H3,(H,23,24)/t16-/m1/s1