2-[3-(3-bromophenyl)propanoylamino]pentanoic acid

Systemtic Name: 2-[3-(3-bromophenyl)propanoylamino]pentanoic acid Openeye Name: 2-[3-(3-bromophenyl)propanoylamino]pentanoic acid CAS Name: 2-[[3-(3-bromophenyl)-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-[3-(3-bromophenyl)propanoylamino]pentanoic acid Traditional Name: 2-[3-(3-bromophenyl)propanoylamino]valeric acid Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

Isomeric SMILES

CCCC(C(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C14H18BrNO3/c1-2-4-12(14(18)19)16-13(17)8-7-10-5-3-6-11(15)9-10/h3,5-6,9,12H,2,4,7-8H2,1H3,(H,16,17)(H,18,19)