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

Systemtic Name: 2-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]propanoic acid Openeye Name: 2-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]propanoic acid CAS Name: 2-[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]propanoic acid IUPAC Name: 2-[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]propanoic acid Traditional Name: 2-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]propionic acid Formula: C24H25NO6 MolecularWeight: 423.4584

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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)C(C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO6/c1-13(2)31-16-8-6-7-15(9-16)23(26)22-18-11-21(30-5)20(29-4)10-17(18)19(12-25-22)14(3)24(27)28/h6-14H,1-5H3,(H,27,28)