6-[3-(4-ethylphenyl)propanoylamino]hexanoic acid

Systemtic Name: 6-[3-(4-ethylphenyl)propanoylamino]hexanoic acid Openeye Name: 6-[3-(4-ethylphenyl)propanoylamino]hexanoic acid CAS Name: 6-[[3-(4-ethylphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[3-(4-ethylphenyl)propanoylamino]hexanoic acid Traditional Name: 6-[3-(4-ethylphenyl)propanoylamino]hexanoic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C17H25NO3/c1-2-14-7-9-15(10-8-14)11-12-16(19)18-13-5-3-4-6-17(20)21/h7-10H,2-6,11-13H2,1H3,(H,18,19)(H,20,21)