2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[3-(4-tert-butylphenoxy)phenyl]methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-(4-tert-butylphenoxy)benzyl]-6-methoxy-3,4-dihydro-1H-isoquinoline Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3CCC4=C(C3)C=CC(=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3CCC4=C(C3)C=CC(=C4)OC

InChI

InChI=1S/C27H31NO2/c1-27(2,3)23-9-12-24(13-10-23)30-26-7-5-6-20(16-26)18-28-15-14-21-17-25(29-4)11-8-22(21)19-28/h5-13,16-17H,14-15,18-19H2,1-4H3