3-[6-(2-carboxyethylamino)-1-oxidanyl-cyclohexa-2,4-dien-1-yl]propanoic acid

Systemtic Name: 3-[6-(2-carboxyethylamino)-1-oxidanyl-cyclohexa-2,4-dien-1-yl]propanoic acid Openeye Name: 3-[6-(2-carboxyethylamino)-1-hydroxy-cyclohexa-2,4-dien-1-yl]propanoic acid CAS Name: 3-[6-(2-carboxyethylamino)-1-hydroxy-1-cyclohexa-2,4-dienyl]propanoic acid IUPAC Name: 3-[6-(2-carboxyethylamino)-1-hydroxycyclohexa-2,4-dien-1-yl]propanoic acid Traditional Name: 3-[6-(2-carboxyethylamino)-1-hydroxy-cyclohexa-2,4-dien-1-yl]propionic acid Formula: C12H17NO5 MolecularWeight: 255.26708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C(C=C1)(CCC(=O)O)O)NCCC(=O)O

Isomeric SMILES

C1=CC(C(C=C1)(CCC(=O)O)O)NCCC(=O)O

InChI

InChI=1S/C12H17NO5/c14-10(15)4-7-12(18)6-2-1-3-9(12)13-8-5-11(16)17/h1-3,6,9,13,18H,4-5,7-8H2,(H,14,15)(H,16,17)