1-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-(4-benzoxy-2-bromo-5-methoxy-phenyl)-5-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C26H28BrNO4 MolecularWeight: 498.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC2=C1CCNC2C3=CC(=C(C=C3Br)OCC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCOC1=C(C=CC2=C1CCNC2C3=CC(=C(C=C3Br)OCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H28BrNO4/c1-4-31-26-19-12-13-28-25(18(19)10-11-22(26)29-2)20-14-23(30-3)24(15-21(20)27)32-16-17-8-6-5-7-9-17/h5-11,14-15,25,28H,4,12-13,16H2,1-3H3