2-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]acetic acid CAS Name: 2-[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]acetic acid IUPAC Name: 2-[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]acetic acid Traditional Name: 2-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]acetic acid Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC(=O)O

InChI

InChI=1S/C23H23NO6/c1-13(2)30-16-7-5-6-14(8-16)23(27)22-18-11-20(29-4)19(28-3)10-17(18)15(12-24-22)9-21(25)26/h5-8,10-13H,9H2,1-4H3,(H,25,26)