N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: N-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine Openeye Name: N-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine CAS Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: N-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-homoveratryl-amine Formula: C25H28BrNO4 MolecularWeight: 486.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C25H28BrNO4/c1-28-22-10-9-18(14-23(22)29-2)11-12-27-16-20-13-21(26)25(24(15-20)30-3)31-17-19-7-5-4-6-8-19/h4-10,13-15,27H,11-12,16-17H2,1-3H3