2-(3-chloranyl-5-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)propanoic acid

Systemtic Name: 2-(3-chloranyl-5-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)propanoic acid Openeye Name: 2-(3-chloro-5-hydroxy-phenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)propanoic acid CAS Name: 2-(3-chloro-5-hydroxyphenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methyl-1-indol-1-iumyl)propanoic acid IUPAC Name: 2-(3-chloro-5-hydroxyphenyl)-2-(3-ethoxycarbonyl-1-ethyl-2-methylindol-1-ium-1-yl)propanoic acid Traditional Name: 2-(3-carbethoxy-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(3-chloro-5-hydroxy-phenyl)propionic acid Formula: C23H25ClNO5+ MolecularWeight: 430.9013

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C(C2=CC=CC=C21)C(=O)OCC)C)C(C)(C3=CC(=CC(=C3)Cl)O)C(=O)O

Isomeric SMILES

CC[N+]1(C(=C(C2=CC=CC=C21)C(=O)OCC)C)C(C)(C3=CC(=CC(=C3)Cl)O)C(=O)O

InChI

InChI=1S/C23H24ClNO5/c1-5-25(23(4,22(28)29)15-11-16(24)13-17(26)12-15)14(3)20(21(27)30-6-2)18-9-7-8-10-19(18)25/h7-13H,5-6H2,1-4H3,(H-,26,28,29)/p+1