6-methoxy-1-[4-(2-methylpropoxy)phenyl]-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6-methoxy-1-[4-(2-methylpropoxy)phenyl]-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-(4-isobutoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 6-methoxy-1-[4-(2-methylpropoxy)phenyl]-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6-methoxy-1-[4-(2-methylpropoxy)phenyl]-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(4-isobutoxyphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31NO3/c1-19(2)17-30-23-11-9-21(10-12-23)27-24-16-26(31-18-20-7-5-4-6-8-20)25(29-3)15-22(24)13-14-28-27/h4-12,15-16,19,27-28H,13-14,17-18H2,1-3H3