3-[3-(2,5-dimethylphenoxy)propanoylamino]butanoic acid

Systemtic Name: 3-[3-(2,5-dimethylphenoxy)propanoylamino]butanoic acid Openeye Name: 3-[3-(2,5-dimethylphenoxy)propanoylamino]butanoic acid CAS Name: 3-[[3-(2,5-dimethylphenoxy)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(2,5-dimethylphenoxy)propanoylamino]butanoic acid Traditional Name: 3-[3-(2,5-dimethylphenoxy)propanoylamino]butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCC(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCC(=O)NC(C)CC(=O)O

InChI

InChI=1S/C15H21NO4/c1-10-4-5-11(2)13(8-10)20-7-6-14(17)16-12(3)9-15(18)19/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)