5-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxy]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxy]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[3-(3-methoxyphenyl)-4-isoquinolyl]methoxy]-5-oxo-pentanoic acid CAS Name: 5-[[3-(3-methoxyphenyl)-4-isoquinolinyl]methoxy]-5-oxopentanoic acid IUPAC Name: 5-[[3-(3-methoxyphenyl)isoquinolin-4-yl]methoxy]-5-oxopentanoic acid Traditional Name: 5-keto-5-[[3-(3-methoxyphenyl)-4-isoquinolyl]methoxy]valeric acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5/c1-27-17-8-4-7-15(12-17)22-19(14-28-21(26)11-5-10-20(24)25)18-9-3-2-6-16(18)13-23-22/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,24,25)