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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrNO4/c1-9(7-14(18)19)16-13(17)6-4-10-3-5-12(20-2)11(15)8-10/h3,5,8-9H,4,6-7H2,1-2H3,(H,16,17)(H,18,19)