1-[2-(hydroxymethyl)-3-oxidanyl-propyl]indole-2-carboxylic acid

Systemtic Name: 1-[2-(hydroxymethyl)-3-oxidanyl-propyl]indole-2-carboxylic acid Openeye Name: 1-[3-hydroxy-2-(hydroxymethyl)propyl]indole-2-carboxylic acid CAS Name: 1-[3-hydroxy-2-(hydroxymethyl)propyl]-2-indolecarboxylic acid IUPAC Name: 1-[3-hydroxy-2-(hydroxymethyl)propyl]indole-2-carboxylic acid Traditional Name: 1-(3-hydroxy-2-methylol-propyl)indole-2-carboxylic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2CC(CO)CO)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2CC(CO)CO)C(=O)O

InChI

InChI=1S/C13H15NO4/c15-7-9(8-16)6-14-11-4-2-1-3-10(11)5-12(14)13(17)18/h1-5,9,15-16H,6-8H2,(H,17,18)