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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)SC)C2(CCC2OCC3=CC=CC=C3)C4=CC5=C(C=C4)C=CNC5

Isomeric SMILES

COC1=C(C(=CC=C1)SC)C2(CCC2OCC3=CC=CC=C3)C4=CC5=C(C=C4)C=CNC5

InChI

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