2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-1-yl]-2-methyl-propanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)-5-oxidanyl-indol-1-ium-1-yl]-2-methyl-propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-5-hydroxy-1-isobutyl-2-methyl-indol-1-ium-1-yl)-2-methyl-propanoic acid CAS Name: 2-[3-ethoxycarbonyl-5-hydroxy-2-methyl-1-(2-methylpropyl)-1-indol-1-iumyl]-2-methylpropanoic acid IUPAC Name: 2-[3-ethoxycarbonyl-5-hydroxy-2-methyl-1-(2-methylpropyl)indol-1-ium-1-yl]-2-methylpropanoic acid Traditional Name: 2-(3-carbethoxy-5-hydroxy-1-isobutyl-2-methyl-indol-1-ium-1-yl)-2-methyl-propionic acid Formula: C20H28NO5+ MolecularWeight: 362.44002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](C2=C1C=C(C=C2)O)(CC(C)C)C(C)(C)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C([N+](C2=C1C=C(C=C2)O)(CC(C)C)C(C)(C)C(=O)O)C

InChI

InChI=1S/C20H27NO5/c1-7-26-18(23)17-13(4)21(11-12(2)3,20(5,6)19(24)25)16-9-8-14(22)10-15(16)17/h8-10,12H,7,11H2,1-6H3,(H-,22,24,25)/p+1