methyl 3-[2-[6-[bis(bromanyl)methyl]-5-decoxy-pyridin-2-yl]-1-oxidanyl-ethyl]benzoate

Systemtic Name: methyl 3-[2-[6-[bis(bromanyl)methyl]-5-decoxy-pyridin-2-yl]-1-oxidanyl-ethyl]benzoate Openeye Name: methyl 3-[2-[5-decoxy-6-(dibromomethyl)-2-pyridyl]-1-hydroxy-ethyl]benzoate CAS Name: 3-[2-[5-decoxy-6-(dibromomethyl)-2-pyridinyl]-1-hydroxyethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[5-decoxy-6-(dibromomethyl)pyridin-2-yl]-1-hydroxyethyl]benzoate Traditional Name: 3-[2-[5-decoxy-6-(dibromomethyl)-2-pyridyl]-1-hydroxy-ethyl]benzoic acid methyl ester Formula: C26H35Br2NO4 MolecularWeight: 585.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(N=C(C=C1)CC(C2=CC=CC(=C2)C(=O)OC)O)C(Br)Br

Isomeric SMILES

CCCCCCCCCCOC1=C(N=C(C=C1)CC(C2=CC=CC(=C2)C(=O)OC)O)C(Br)Br

InChI

InChI=1S/C26H35Br2NO4/c1-3-4-5-6-7-8-9-10-16-33-23-15-14-21(29-24(23)25(27)28)18-22(30)19-12-11-13-20(17-19)26(31)32-2/h11-15,17,22,25,30H,3-10,16,18H2,1-2H3