2-[2-(hydroxymethyl)-5-methanoyl-pyrrol-1-yl]hexanoic acid

Systemtic Name: 2-[2-(hydroxymethyl)-5-methanoyl-pyrrol-1-yl]hexanoic acid Openeye Name: 2-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]hexanoic acid CAS Name: 2-[2-formyl-5-(hydroxymethyl)-1-pyrrolyl]hexanoic acid IUPAC Name: 2-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]hexanoic acid Traditional Name: 2-(2-formyl-5-methylol-pyrrol-1-yl)hexanoic acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C(=CC=C1C=O)CO

Isomeric SMILES

CCCCC(C(=O)O)N1C(=CC=C1C=O)CO

InChI

InChI=1S/C12H17NO4/c1-2-3-4-11(12(16)17)13-9(7-14)5-6-10(13)8-15/h5-7,11,15H,2-4,8H2,1H3,(H,16,17)