2-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxycarbonyl]benzoic acid

Systemtic Name: 2-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxycarbonyl]benzoic acid Openeye Name: 2-[[3-(3-methoxyphenyl)-4-isoquinolyl]methoxycarbonyl]benzoic acid CAS Name: 2-[[3-(3-methoxyphenyl)-4-isoquinolinyl]methoxy-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxycarbonyl]benzoic acid Traditional Name: 2-[[3-(3-methoxyphenyl)-4-isoquinolyl]methoxycarbonyl]benzoic acid Formula: C25H19NO5 MolecularWeight: 413.42206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H19NO5/c1-30-18-9-6-8-16(13-18)23-22(19-10-3-2-7-17(19)14-26-23)15-31-25(29)21-12-5-4-11-20(21)24(27)28/h2-14H,15H2,1H3,(H,27,28)