N-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide

Systemtic Name: N-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide Openeye Name: N-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide CAS Name: N-[5-(bromomethyl)-2-tert-butylphenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide IUPAC Name: N-[5-(bromomethyl)-2-tert-butylphenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)octanamide Traditional Name: N-[5-(bromomethyl)-2-tert-butyl-phenyl]-3-(2,3-dihydro-1,4-benzodioxin-5-yl)caprylamide Formula: C27H36BrNO3 MolecularWeight: 502.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CBr)C(C)(C)C)C2=C3C(=CC=C2)OCCO3

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CBr)C(C)(C)C)C2=C3C(=CC=C2)OCCO3

InChI

InChI=1S/C27H36BrNO3/c1-5-6-7-9-20(21-10-8-11-24-26(21)32-15-14-31-24)17-25(30)29-23-16-19(18-28)12-13-22(23)27(2,3)4/h8,10-13,16,20H,5-7,9,14-15,17-18H2,1-4H3,(H,29,30)