2-azanyl-2-[[3,4-bis(oxidanyl)phenyl]methyl]hexanoic acid

Systemtic Name: 2-azanyl-2-[[3,4-bis(oxidanyl)phenyl]methyl]hexanoic acid Openeye Name: 2-amino-2-[(3,4-dihydroxyphenyl)methyl]hexanoic acid CAS Name: 2-amino-2-[(3,4-dihydroxyphenyl)methyl]hexanoic acid IUPAC Name: 2-amino-2-[(3,4-dihydroxyphenyl)methyl]hexanoic acid Traditional Name: 2-amino-2-protocatechuyl-hexanoic acid Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N

Isomeric SMILES

CCCCC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N

InChI

InChI=1S/C13H19NO4/c1-2-3-6-13(14,12(17)18)8-9-4-5-10(15)11(16)7-9/h4-5,7,15-16H,2-3,6,8,14H2,1H3,(H,17,18)