1-(2,2-dimethylpropyl)-5-oxidanyl-indole-3-carboxylic acid

Systemtic Name: 1-(2,2-dimethylpropyl)-5-oxidanyl-indole-3-carboxylic acid Openeye Name: 1-(2,2-dimethylpropyl)-5-hydroxy-indole-3-carboxylic acid CAS Name: 1-(2,2-dimethylpropyl)-5-hydroxy-3-indolecarboxylic acid IUPAC Name: 1-(2,2-dimethylpropyl)-5-hydroxyindole-3-carboxylic acid Traditional Name: 5-hydroxy-1-neopentyl-indole-3-carboxylic acid Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C=C(C2=C1C=CC(=C2)O)C(=O)O

Isomeric SMILES

CC(C)(C)CN1C=C(C2=C1C=CC(=C2)O)C(=O)O

InChI

InChI=1S/C14H17NO3/c1-14(2,3)8-15-7-11(13(17)18)10-6-9(16)4-5-12(10)15/h4-7,16H,8H2,1-3H3,(H,17,18)