6-methoxy-1-[1-(2-methylsulfanylphenyl)cyclobutyl]-7-phenylmethoxy-1,2-dihydroisoquinoline

Systemtic Name: 6-methoxy-1-[1-(2-methylsulfanylphenyl)cyclobutyl]-7-phenylmethoxy-1,2-dihydroisoquinoline Openeye Name: 7-benzyloxy-6-methoxy-1-[1-(2-methylsulfanylphenyl)cyclobutyl]-1,2-dihydroisoquinoline CAS Name: 6-methoxy-1-[1-[2-(methylthio)phenyl]cyclobutyl]-7-phenylmethoxy-1,2-dihydroisoquinoline IUPAC Name: 6-methoxy-1-[1-(2-methylsulfanylphenyl)cyclobutyl]-7-phenylmethoxy-1,2-dihydroisoquinoline Traditional Name: 7-benzoxy-6-methoxy-1-[1-[2-(methylthio)phenyl]cyclobutyl]-1,2-dihydroisoquinoline Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NC=CC2=C1)C3(CCC3)C4=CC=CC=C4SC)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C(NC=CC2=C1)C3(CCC3)C4=CC=CC=C4SC)OCC5=CC=CC=C5

InChI

InChI=1S/C28H29NO2S/c1-30-24-17-21-13-16-29-27(22(21)18-25(24)31-19-20-9-4-3-5-10-20)28(14-8-15-28)23-11-6-7-12-26(23)32-2/h3-7,9-13,16-18,27,29H,8,14-15,19H2,1-2H3