6-[[3-(4-methoxyoxan-2-yl)phenyl]methoxy]-1-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-[[3-(4-methoxyoxan-2-yl)phenyl]methoxy]-1-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-[[3-(4-methoxytetrahydropyran-2-yl)phenyl]methoxy]-1-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-[[3-(4-methoxy-2-oxanyl)phenyl]methoxy]-1-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-[[3-(4-methoxyoxan-2-yl)phenyl]methoxy]-1-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-[3-(4-methoxytetrahydropyran-2-yl)benzyl]oxy-1-phenyl-isoquinoline-3-carboxylic acid Formula: C29H27NO5 MolecularWeight: 469.52838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CCOC(C1)C2=CC(=CC=C2)COC3=CC4=CC(=NC(=C4C=C3)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1CCOC(C1)C2=CC(=CC=C2)COC3=CC4=CC(=NC(=C4C=C3)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H27NO5/c1-33-23-12-13-34-27(17-23)21-9-5-6-19(14-21)18-35-24-10-11-25-22(15-24)16-26(29(31)32)30-28(25)20-7-3-2-4-8-20/h2-11,14-16,23,27H,12-13,17-18H2,1H3,(H,31,32)