N-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-(3,4,5-trimethoxyphenyl)octanamide

Systemtic Name: N-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-(3,4,5-trimethoxyphenyl)octanamide Openeye Name: N-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-(3,4,5-trimethoxyphenyl)octanamide CAS Name: N-[5-(bromomethyl)-2-tert-butylphenyl]-3-(3,4,5-trimethoxyphenyl)octanamide IUPAC Name: N-[5-(bromomethyl)-2-tert-butylphenyl]-3-(3,4,5-trimethoxyphenyl)octanamide Traditional Name: N-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-(3,4,5-trimethoxyphenyl)caprylamide Formula: C28H40BrNO4 MolecularWeight: 534.5255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CBr)C(C)(C)C)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CBr)C(C)(C)C)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C28H40BrNO4/c1-8-9-10-11-20(21-15-24(32-5)27(34-7)25(16-21)33-6)17-26(31)30-23-14-19(18-29)12-13-22(23)28(2,3)4/h12-16,20H,8-11,17-18H2,1-7H3,(H,30,31)