1-(5-bromanyl-2,4-dimethoxy-phenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Systemtic Name: 1-(5-bromanyl-2,4-dimethoxy-phenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Openeye Name: 6-benzyloxy-1-(5-bromo-2,4-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole CAS Name: 1-(5-bromo-2,4-dimethoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole IUPAC Name: 1-(5-bromo-2,4-dimethoxyphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole Traditional Name: 6-benzoxy-1-(5-bromo-2,4-dimethoxy-phenyl)-2,3,4,9-tetrahydro-1H-$b-carboline Formula: C26H25BrN2O3 MolecularWeight: 493.3923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OCC5=CC=CC=C5)Br)OC

InChI

InChI=1S/C26H25BrN2O3/c1-30-23-14-24(31-2)21(27)13-20(23)25-26-18(10-11-28-25)19-12-17(8-9-22(19)29-26)32-15-16-6-4-3-5-7-16/h3-9,12-14,25,28-29H,10-11,15H2,1-2H3