2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)ethanoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)ethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid CAS Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methyl-1-indol-1-iumyl)-2-(3-hydroxyphenyl)acetic acid IUPAC Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methylindol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid Traditional Name: 2-(3-carbethoxy-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO5/c1-4-23(20(21(25)26)15-9-8-10-16(24)13-15)14(3)19(22(27)28-5-2)17-11-6-7-12-18(17)23/h6-13,20H,4-5H2,1-3H3,(H-,24,25,26)/p+1