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

Systemtic Name: N-[4-[[2-(4-bromanyl-2,6-dimethyl-phenoxy)propanoylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxopropyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[2-(4-bromo-2,6-dimethyl-phenoxy)propanoylamino]carbamoyl]phenyl]butyramide Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4/c1-5-6-19(27)24-18-9-7-16(8-10-18)22(29)26-25-21(28)15(4)30-20-13(2)11-17(23)12-14(20)3/h7-12,15H,5-6H2,1-4H3,(H,24,27)(H,25,28)(H,26,29)