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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2C3=C(CCN2)C=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2C3=C(CCN2)C=C(C=C3)OCC4=CC=CC=C4)OC

InChI

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