1-(3-tert-butyl-5-methyl-phenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(3-tert-butyl-5-methyl-phenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-(3-tert-butyl-5-methyl-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(3-tert-butyl-5-methylphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(3-tert-butyl-5-methylphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(3-tert-butyl-5-methyl-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C28H33NO2 MolecularWeight: 415.56712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C28H33NO2/c1-19-13-22(15-23(14-19)28(2,3)4)27-24-17-26(31-18-20-9-7-6-8-10-20)25(30-5)16-21(24)11-12-29-27/h6-10,13-17,27,29H,11-12,18H2,1-5H3