N-[4-[[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]carbamoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]carbamoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]carbamoyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]hydrazo]-oxomethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]carbamoyl]phenyl]-3-methyl-butyramide Formula: C23H28BrN3O4 MolecularWeight: 490.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)C(=O)NNC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C)Br

InChI

InChI=1S/C23H28BrN3O4/c1-13(2)10-20(28)25-19-8-6-17(7-9-19)23(30)27-26-22(29)16(5)31-21-14(3)11-18(24)12-15(21)4/h6-9,11-13,16H,10H2,1-5H3,(H,25,28)(H,26,29)(H,27,30)