2-(butanoylamino)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-(butanoylamino)-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-(butanoylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-(1-oxobutylamino)propanoic acid IUPAC Name: 2-(butanoylamino)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-butyramido-3-(4-hydroxyphenyl)propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-2-3-12(16)14-11(13(17)18)8-9-4-6-10(15)7-5-9/h4-7,11,15H,2-3,8H2,1H3,(H,14,16)(H,17,18)