4-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]butanoic acid

Systemtic Name: 4-[3-(3-bromanyl-4-methoxy-phenyl)propanoylamino]butanoic acid Openeye Name: 4-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]butanoic acid CAS Name: 4-[[3-(3-bromo-4-methoxyphenyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(3-bromo-4-methoxyphenyl)propanoylamino]butanoic acid Traditional Name: 4-[3-(3-bromo-4-methoxy-phenyl)propanoylamino]butyric acid Formula: C14H18BrNO4 MolecularWeight: 344.20102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NCCCC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NCCCC(=O)O)Br

InChI

InChI=1S/C14H18BrNO4/c1-20-12-6-4-10(9-11(12)15)5-7-13(17)16-8-2-3-14(18)19/h4,6,9H,2-3,5,7-8H2,1H3,(H,16,17)(H,18,19)