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

Systemtic Name: 5-oxidanyl-5-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)-2-pyridin-3-yl-indole-3-carboxylic acid Openeye Name: 5-(1-carboxypentyl)-5-hydroxy-2-(3-pyridyl)indole-3-carboxylic acid CAS Name: 5-hydroxy-5-(1-hydroxy-1-oxohexan-2-yl)-2-(3-pyridinyl)-3-indolecarboxylic acid IUPAC Name: 5-hydroxy-5-(1-hydroxy-1-oxohexan-2-yl)-2-pyridin-3-ylindole-3-carboxylic acid Traditional Name: 5-(1-carboxypentyl)-5-hydroxy-2-(3-pyridyl)indole-3-carboxylic acid Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)C1(C=CC2=NC(=C(C2=C1)C(=O)O)C3=CN=CC=C3)O

Isomeric SMILES

CCCCC(C(=O)O)C1(C=CC2=NC(=C(C2=C1)C(=O)O)C3=CN=CC=C3)O

InChI

InChI=1S/C20H20N2O5/c1-2-3-6-14(18(23)24)20(27)8-7-15-13(10-20)16(19(25)26)17(22-15)12-5-4-9-21-11-12/h4-5,7-11,14,27H,2-3,6H2,1H3,(H,23,24)(H,25,26)