2-[1-[3-(4-tert-butylphenoxy)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[3-(4-tert-butylphenoxy)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[3-(4-tert-butylphenoxy)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[3-(4-tert-butylphenoxy)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[3-(4-tert-butylphenoxy)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-[3-(4-tert-butylphenoxy)phenyl]ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)OC2=CC=C(C=C2)C(C)(C)C)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC(C1=CC(=CC=C1)OC2=CC=C(C=C2)C(C)(C)C)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C29H35NO3/c1-20(30-15-14-22-17-27(31-5)28(32-6)18-23(22)19-30)21-8-7-9-26(16-21)33-25-12-10-24(11-13-25)29(2,3)4/h7-13,16-18,20H,14-15,19H2,1-6H3