2-(1-tert-butyl-6,7-dimethoxy-isoquinolin-4-yl)ethanoic acid

Systemtic Name: 2-(1-tert-butyl-6,7-dimethoxy-isoquinolin-4-yl)ethanoic acid Openeye Name: 2-(1-tert-butyl-6,7-dimethoxy-4-isoquinolyl)acetic acid CAS Name: 2-(1-tert-butyl-6,7-dimethoxy-4-isoquinolinyl)acetic acid IUPAC Name: 2-(1-tert-butyl-6,7-dimethoxyisoquinolin-4-yl)acetic acid Traditional Name: 2-(1-tert-butyl-6,7-dimethoxy-4-isoquinolyl)acetic acid Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC=C(C2=CC(=C(C=C21)OC)OC)CC(=O)O

Isomeric SMILES

CC(C)(C)C1=NC=C(C2=CC(=C(C=C21)OC)OC)CC(=O)O

InChI

InChI=1S/C17H21NO4/c1-17(2,3)16-12-8-14(22-5)13(21-4)7-11(12)10(9-18-16)6-15(19)20/h7-9H,6H2,1-5H3,(H,19,20)