4-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-(3-methoxyphenyl)-4-isoquinolyl]methoxy]-4-oxo-butanoic acid CAS Name: 4-[[3-(3-methoxyphenyl)-4-isoquinolinyl]methoxy]-4-oxobutanoic acid IUPAC Name: 4-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxy]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[3-(3-methoxyphenyl)-4-isoquinolyl]methoxy]butyric acid Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO5/c1-26-16-7-4-6-14(11-16)21-18(13-27-20(25)10-9-19(23)24)17-8-3-2-5-15(17)12-22-21/h2-8,11-12H,9-10,13H2,1H3,(H,23,24)