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

Systemtic Name: 2-(3-ethoxycarbonyl-1,2-dimethyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1,2-dimethyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid CAS Name: 2-(3-ethoxycarbonyl-1,2-dimethyl-1-indol-1-iumyl)-2-(3-hydroxyphenyl)propanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-1,2-dimethylindol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid Traditional Name: 2-(3-carbethoxy-1,2-dimethyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propionic acid Formula: C22H24NO5+ MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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