2-(3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-propan-2-yl-indol-1-ium-1-yl)propanoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-2-methyl-5-oxidanyl-1-propan-2-yl-indol-1-ium-1-yl)propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-5-hydroxy-1-isopropyl-2-methyl-indol-1-ium-1-yl)propanoic acid CAS Name: 2-(3-ethoxycarbonyl-5-hydroxy-2-methyl-1-propan-2-yl-1-indol-1-iumyl)propanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-5-hydroxy-2-methyl-1-propan-2-ylindol-1-ium-1-yl)propanoic acid Traditional Name: 2-(3-carbethoxy-5-hydroxy-1-isopropyl-2-methyl-indol-1-ium-1-yl)propionic acid Formula: C18H24NO5+ MolecularWeight: 334.38686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-6-24-18(23)16-11(4)19(10(2)3,12(5)17(21)22)15-8-7-13(20)9-14(15)16/h7-10,12H,6H2,1-5H3,(H-,20,21,22)/p+1