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

Systemtic Name: 2-(3-ethoxycarbonyl-1-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)ethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid CAS Name: 2-(3-ethoxycarbonyl-1-methyl-1-indol-1-iumyl)-2-(3-hydroxyphenyl)acetic acid IUPAC Name: 2-(3-ethoxycarbonyl-1-methylindol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid Traditional Name: 2-(3-carbethoxy-1-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid Formula: C20H20NO5+ MolecularWeight: 354.3765

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](C2=CC=CC=C21)(C)C(C3=CC(=CC=C3)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C[N+](C2=CC=CC=C21)(C)C(C3=CC(=CC=C3)O)C(=O)O

InChI

InChI=1S/C20H19NO5/c1-3-26-20(25)16-12-21(2,17-10-5-4-9-15(16)17)18(19(23)24)13-7-6-8-14(22)11-13/h4-12,18H,3H2,1-2H3,(H-,22,23,24)/p+1