2-[1-[3,5-di(propan-2-yloxy)phenyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[1-[3,5-di(propan-2-yloxy)phenyl]-6,7-dimethoxy-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[1-(3,5-diisopropoxyphenyl)-6,7-dimethoxy-4-isoquinolyl]acetic acid CAS Name: 2-[1-[3,5-di(propan-2-yloxy)phenyl]-6,7-dimethoxy-4-isoquinolinyl]acetic acid IUPAC Name: 2-[1-[3,5-di(propan-2-yloxy)phenyl]-6,7-dimethoxyisoquinolin-4-yl]acetic acid Traditional Name: 2-[1-(3,5-diisopropoxyphenyl)-6,7-dimethoxy-4-isoquinolyl]acetic acid Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO6/c1-14(2)31-18-7-16(8-19(10-18)32-15(3)4)25-21-12-23(30-6)22(29-5)11-20(21)17(13-26-25)9-24(27)28/h7-8,10-15H,9H2,1-6H3,(H,27,28)