methyl 4-[2-oxidanyl-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzoate

Systemtic Name: methyl 4-[2-oxidanyl-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzoate Openeye Name: methyl 4-[2-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzoate CAS Name: 4-[2-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzoate Traditional Name: 4-[2-hydroxy-3-(4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propoxy]benzoic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC(CN2CC(C3=CC=CC=C3C2)C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC(CN2CC(C3=CC=CC=C3C2)C4=CC=CC=C4)O

InChI

InChI=1S/C26H27NO4/c1-30-26(29)20-11-13-23(14-12-20)31-18-22(28)16-27-15-21-9-5-6-10-24(21)25(17-27)19-7-3-2-4-8-19/h2-14,22,25,28H,15-18H2,1H3