2-[2-(hydroxymethyl)-5-methanoyl-pyrrol-1-yl]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(hydroxymethyl)-5-methanoyl-pyrrol-1-yl]-4-methyl-pentanoic acid Openeye Name: 2-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]-4-methyl-pentanoic acid CAS Name: 2-[2-formyl-5-(hydroxymethyl)-1-pyrrolyl]-4-methylpentanoic acid IUPAC Name: 2-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]-4-methylpentanoic acid Traditional Name: 2-(2-formyl-5-methylol-pyrrol-1-yl)-4-methyl-valeric acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-8(2)5-11(12(16)17)13-9(6-14)3-4-10(13)7-15/h3-4,6,8,11,15H,5,7H2,1-2H3,(H,16,17)