3-[3-(4-ethoxycarbonyl-6,7-dimethoxy-isoquinolin-1-yl)carbonylphenoxy]-2-methyl-propanoic acid

Systemtic Name: 3-[3-(4-ethoxycarbonyl-6,7-dimethoxy-isoquinolin-1-yl)carbonylphenoxy]-2-methyl-propanoic acid Openeye Name: 3-[3-(4-ethoxycarbonyl-6,7-dimethoxy-isoquinoline-1-carbonyl)phenoxy]-2-methyl-propanoic acid CAS Name: 3-[3-[(4-ethoxycarbonyl-6,7-dimethoxy-1-isoquinolinyl)-oxomethyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 3-[3-(4-ethoxycarbonyl-6,7-dimethoxyisoquinoline-1-carbonyl)phenoxy]-2-methylpropanoic acid Traditional Name: 3-[3-(4-carbethoxy-6,7-dimethoxy-isoquinoline-1-carbonyl)phenoxy]-2-methyl-propionic acid Formula: C25H25NO8 MolecularWeight: 467.4679

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OCC(C)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC(=C(C=C21)OC)OC)C(=O)C3=CC(=CC=C3)OCC(C)C(=O)O

InChI

InChI=1S/C25H25NO8/c1-5-33-25(30)19-12-26-22(18-11-21(32-4)20(31-3)10-17(18)19)23(27)15-7-6-8-16(9-15)34-13-14(2)24(28)29/h6-12,14H,5,13H2,1-4H3,(H,28,29)