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

Systemtic Name: 1-(3-tert-butyl-5-methyl-phenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6-benzyloxy-1-(3-tert-butyl-5-methyl-phenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(3-tert-butyl-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(3-tert-butyl-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6-benzoxy-1-(3-tert-butyl-5-methyl-phenyl)-1,2,3,4-tetrahydroisoquinoline Formula: C27H31NO MolecularWeight: 385.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2C3=C(CCN2)C=C(C=C3)OCC4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2C3=C(CCN2)C=C(C=C3)OCC4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C27H31NO/c1-19-14-22(16-23(15-19)27(2,3)4)26-25-11-10-24(17-21(25)12-13-28-26)29-18-20-8-6-5-7-9-20/h5-11,14-17,26,28H,12-13,18H2,1-4H3