3-[2-(4-bromophenyl)phenyl]-1-(2,6-dimethylpiperidin-1-yl)butane-1,2-diol

Systemtic Name: 3-[2-(4-bromophenyl)phenyl]-1-(2,6-dimethylpiperidin-1-yl)butane-1,2-diol Openeye Name: 3-[2-(4-bromophenyl)phenyl]-1-(2,6-dimethyl-1-piperidyl)butane-1,2-diol CAS Name: 3-[2-(4-bromophenyl)phenyl]-1-(2,6-dimethyl-1-piperidinyl)butane-1,2-diol IUPAC Name: 3-[2-(4-bromophenyl)phenyl]-1-(2,6-dimethylpiperidin-1-yl)butane-1,2-diol Traditional Name: 3-[2-(4-bromophenyl)phenyl]-1-(2,6-dimethylpiperidino)butane-1,2-diol Formula: C23H30BrNO2 MolecularWeight: 432.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(C(C(C)C2=CC=CC=C2C3=CC=C(C=C3)Br)O)O)C

Isomeric SMILES

CC1CCCC(N1C(C(C(C)C2=CC=CC=C2C3=CC=C(C=C3)Br)O)O)C

InChI

InChI=1S/C23H30BrNO2/c1-15-7-6-8-16(2)25(15)23(27)22(26)17(3)20-9-4-5-10-21(20)18-11-13-19(24)14-12-18/h4-5,9-17,22-23,26-27H,6-8H2,1-3H3