1-(4-bromanyl-2,6-dimethyl-phenoxy)-4-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)butan-2-ol

Systemtic Name: 1-(4-bromanyl-2,6-dimethyl-phenoxy)-4-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)butan-2-ol Openeye Name: 1-(4-bromo-2,6-dimethyl-phenoxy)-4-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)butan-2-ol CAS Name: 1-(4-bromo-2,6-dimethylphenoxy)-4-(1-piperazinyl)-4-(3,4,5-trimethoxyphenyl)-2-butanol IUPAC Name: 1-(4-bromo-2,6-dimethylphenoxy)-4-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)butan-2-ol Traditional Name: 1-(4-bromo-2,6-dimethyl-phenoxy)-4-piperazino-4-(3,4,5-trimethoxyphenyl)butan-2-ol Formula: C25H35BrN2O5 MolecularWeight: 523.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(CC(C2=CC(=C(C(=C2)OC)OC)OC)N3CCNCC3)O)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(CC(C2=CC(=C(C(=C2)OC)OC)OC)N3CCNCC3)O)C)Br

InChI

InChI=1S/C25H35BrN2O5/c1-16-10-19(26)11-17(2)24(16)33-15-20(29)14-21(28-8-6-27-7-9-28)18-12-22(30-3)25(32-5)23(13-18)31-4/h10-13,20-21,27,29H,6-9,14-15H2,1-5H3