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

Systemtic Name: 2-(3-ethoxycarbonyl-1,2-dimethyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)ethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1,2-dimethyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid CAS Name: 2-(3-ethoxycarbonyl-1,2-dimethyl-1-indol-1-iumyl)-2-(3-hydroxyphenyl)acetic acid IUPAC Name: 2-(3-ethoxycarbonyl-1,2-dimethylindol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid Traditional Name: 2-(3-carbethoxy-1,2-dimethyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid Formula: C21H22NO5+ MolecularWeight: 368.40308

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-4-27-21(26)18-13(2)22(3,17-11-6-5-10-16(17)18)19(20(24)25)14-8-7-9-15(23)12-14/h5-12,19H,4H2,1-3H3,(H-,23,24,25)/p+1