3-ethanoyl-1-(4-oxidanyl-4-oxidanylidene-butyl)indole-2-carboxylic acid

Systemtic Name: 3-ethanoyl-1-(4-oxidanyl-4-oxidanylidene-butyl)indole-2-carboxylic acid Openeye Name: 3-acetyl-1-(4-hydroxy-4-oxo-butyl)indole-2-carboxylic acid CAS Name: 3-acetyl-1-(4-hydroxy-4-oxobutyl)-2-indolecarboxylic acid IUPAC Name: 3-acetyl-1-(4-hydroxy-4-oxobutyl)indole-2-carboxylic acid Traditional Name: 3-acetyl-1-(4-hydroxy-4-keto-butyl)indole-2-carboxylic acid Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(C2=CC=CC=C21)CCCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=C(N(C2=CC=CC=C21)CCCC(=O)O)C(=O)O

InChI

InChI=1S/C15H15NO5/c1-9(17)13-10-5-2-3-6-11(10)16(14(13)15(20)21)8-4-7-12(18)19/h2-3,5-6H,4,7-8H2,1H3,(H,18,19)(H,20,21)