3-[3,4-bis(oxidanyl)phenyl]-2-(hexanoylamino)propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-(hexanoylamino)propanoic acid Openeye Name: 3-(3,4-dihydroxyphenyl)-2-(hexanoylamino)propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-2-(1-oxohexylamino)propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-(hexanoylamino)propanoic acid Traditional Name: 2-(caproylamino)-3-(3,4-dihydroxyphenyl)propionic acid Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5/c1-2-3-4-5-14(19)16-11(15(20)21)8-10-6-7-12(17)13(18)9-10/h6-7,9,11,17-18H,2-5,8H2,1H3,(H,16,19)(H,20,21)