methyl 6-[[3-(4-oxidanyloxan-2-yl)phenyl]methoxy]-1-phenyl-isoquinoline-3-carboxylate

Systemtic Name: methyl 6-[[3-(4-oxidanyloxan-2-yl)phenyl]methoxy]-1-phenyl-isoquinoline-3-carboxylate Openeye Name: methyl 6-[[3-(4-hydroxytetrahydropyran-2-yl)phenyl]methoxy]-1-phenyl-isoquinoline-3-carboxylate CAS Name: 6-[[3-(4-hydroxy-2-oxanyl)phenyl]methoxy]-1-phenyl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-[[3-(4-hydroxyoxan-2-yl)phenyl]methoxy]-1-phenylisoquinoline-3-carboxylate Traditional Name: 6-[3-(4-hydroxytetrahydropyran-2-yl)benzyl]oxy-1-phenyl-isoquinoline-3-carboxylic acid methyl ester Formula: C29H27NO5 MolecularWeight: 469.52838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC(=C2C=CC(=CC2=C1)OCC3=CC=CC(=C3)C4CC(CCO4)O)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=NC(=C2C=CC(=CC2=C1)OCC3=CC=CC(=C3)C4CC(CCO4)O)C5=CC=CC=C5

InChI

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