4-[[5-[2-(4-hydroxyphenyl)ethyl]-1-(phenylmethyl)pyrrolidin-2-yl]methyl]benzene-1,2-diol hydrobromide

Systemtic Name: 4-[[5-[2-(4-hydroxyphenyl)ethyl]-1-(phenylmethyl)pyrrolidin-2-yl]methyl]benzene-1,2-diol hydrobromide Openeye Name: 4-[[1-benzyl-5-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-yl]methyl]benzene-1,2-diol hydrobromide CAS Name: 4-[[5-[2-(4-hydroxyphenyl)ethyl]-1-(phenylmethyl)-2-pyrrolidinyl]methyl]benzene-1,2-diol hydrobromide IUPAC Name: 4-[[1-benzyl-5-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-yl]methyl]benzene-1,2-diol hydrobromide Traditional Name: 4-[[1-benzyl-5-[2-(4-hydroxyphenyl)ethyl]pyrrolidin-2-yl]methyl]pyrocatechol hydrobromide Formula: C26H30BrNO3 MolecularWeight: 484.4253

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1CCC2=CC=C(C=C2)O)CC3=CC=CC=C3)CC4=CC(=C(C=C4)O)O.Br

Isomeric SMILES

C1CC(N(C1CCC2=CC=C(C=C2)O)CC3=CC=CC=C3)CC4=CC(=C(C=C4)O)O.Br

InChI

InChI=1S/C26H29NO3.BrH/c28-24-13-7-19(8-14-24)6-10-22-11-12-23(16-21-9-15-25(29)26(30)17-21)27(22)18-20-4-2-1-3-5-20;/h1-5,7-9,13-15,17,22-23,28-30H,6,10-12,16,18H2;1H