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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C(C)OC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C23H28BrN3O4/c1-5-6-7-20(28)25-19-10-8-17(9-11-19)23(30)27-26-22(29)16(4)31-21-14(2)12-18(24)13-15(21)3/h8-13,16H,5-7H2,1-4H3,(H,25,28)(H,26,29)(H,27,30)