N-[4-[[(5-bromanyl-2-phenethyloxy-phenyl)carbonylamino]carbamoyl]phenyl]pentanamide

Systemtic Name: N-[4-[[(5-bromanyl-2-phenethyloxy-phenyl)carbonylamino]carbamoyl]phenyl]pentanamide Openeye Name: N-[4-[[(5-bromo-2-phenethyloxy-benzoyl)amino]carbamoyl]phenyl]pentanamide CAS Name: N-[4-[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]pentanamide IUPAC Name: N-[4-[[(5-bromo-2-phenethyloxybenzoyl)amino]carbamoyl]phenyl]pentanamide Traditional Name: N-[4-[[(5-bromo-2-phenethyloxy-benzoyl)amino]carbamoyl]phenyl]valeramide Formula: C27H28BrN3O4 MolecularWeight: 538.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H28BrN3O4/c1-2-3-9-25(32)29-22-13-10-20(11-14-22)26(33)30-31-27(34)23-18-21(28)12-15-24(23)35-17-16-19-7-5-4-6-8-19/h4-8,10-15,18H,2-3,9,16-17H2,1H3,(H,29,32)(H,30,33)(H,31,34)