2-[4-(4-bromanyl-2,6-dimethyl-phenoxy)-3,6-dimethyl-pyrrolo[3,2-c]pyridin-1-yl]butan-1-ol

Systemtic Name: 2-[4-(4-bromanyl-2,6-dimethyl-phenoxy)-3,6-dimethyl-pyrrolo[3,2-c]pyridin-1-yl]butan-1-ol Openeye Name: 2-[4-(4-bromo-2,6-dimethyl-phenoxy)-3,6-dimethyl-pyrrolo[3,2-c]pyridin-1-yl]butan-1-ol CAS Name: 2-[4-(4-bromo-2,6-dimethylphenoxy)-3,6-dimethyl-1-pyrrolo[3,2-c]pyridinyl]-1-butanol IUPAC Name: 2-[4-(4-bromo-2,6-dimethylphenoxy)-3,6-dimethylpyrrolo[3,2-c]pyridin-1-yl]butan-1-ol Traditional Name: 2-[4-(4-bromo-2,6-dimethyl-phenoxy)-3,6-dimethyl-pyrrolo[3,2-c]pyridin-1-yl]butan-1-ol Formula: C21H25BrN2O2 MolecularWeight: 417.3394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C=C(C2=C(N=C(C=C21)C)OC3=C(C=C(C=C3C)Br)C)C

Isomeric SMILES

CCC(CO)N1C=C(C2=C(N=C(C=C21)C)OC3=C(C=C(C=C3C)Br)C)C

InChI

InChI=1S/C21H25BrN2O2/c1-6-17(11-25)24-10-14(4)19-18(24)9-15(5)23-21(19)26-20-12(2)7-16(22)8-13(20)3/h7-10,17,25H,6,11H2,1-5H3