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

Systemtic Name: 1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6-benzyloxy-1-(4-isopentyloxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6-benzoxy-1-(4-isoamoxy-3-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Formula: C28H33NO3 MolecularWeight: 431.56652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C2C3=C(CCN2)C=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C2C3=C(CCN2)C=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C28H33NO3/c1-20(2)14-16-31-26-12-9-23(18-27(26)30-3)28-25-11-10-24(17-22(25)13-15-29-28)32-19-21-7-5-4-6-8-21/h4-12,17-18,20,28-29H,13-16,19H2,1-3H3