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

Systemtic Name: 1-(5-tert-butyl-4-methoxy-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-(5-tert-butyl-4-methoxy-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-(5-tert-butyl-4-methoxy-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C21H27NO3 MolecularWeight: 341.44398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C3=CC(=C(C=C3CCN2)O)O)C(C)(C)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C2C3=CC(=C(C=C3CCN2)O)O)C(C)(C)C)OC

InChI

InChI=1S/C21H27NO3/c1-12-8-19(25-5)16(21(2,3)4)10-14(12)20-15-11-18(24)17(23)9-13(15)6-7-22-20/h8-11,20,22-24H,6-7H2,1-5H3