5-oxidanyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)-2-pyridin-3-yl-indole-3-carboxylic acid

Systemtic Name: 5-oxidanyl-1-(6-oxidanyl-6-oxidanylidene-hexyl)-2-pyridin-3-yl-indole-3-carboxylic acid Openeye Name: 5-hydroxy-1-(6-hydroxy-6-oxo-hexyl)-2-(3-pyridyl)indole-3-carboxylic acid CAS Name: 5-hydroxy-1-(6-hydroxy-6-oxohexyl)-2-(3-pyridinyl)-3-indolecarboxylic acid IUPAC Name: 5-hydroxy-1-(6-hydroxy-6-oxohexyl)-2-pyridin-3-ylindole-3-carboxylic acid Traditional Name: 5-hydroxy-1-(6-hydroxy-6-keto-hexyl)-2-(3-pyridyl)indole-3-carboxylic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=C(C3=C(N2CCCCCC(=O)O)C=CC(=C3)O)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=C(C3=C(N2CCCCCC(=O)O)C=CC(=C3)O)C(=O)O

InChI

InChI=1S/C20H20N2O5/c23-14-7-8-16-15(11-14)18(20(26)27)19(13-5-4-9-21-12-13)22(16)10-3-1-2-6-17(24)25/h4-5,7-9,11-12,23H,1-3,6,10H2,(H,24,25)(H,26,27)