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

Systemtic Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid CAS Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methyl-1-indol-1-iumyl)-2-(3-hydroxyphenyl)propanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-1-ethyl-2-methylindol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid Traditional Name: 2-(3-carbethoxy-1-ethyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propionic acid Formula: C23H26NO5+ MolecularWeight: 396.45624

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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)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)O)C(=O)O

InChI

InChI=1S/C23H25NO5/c1-5-24(23(4,22(27)28)16-10-9-11-17(25)14-16)15(3)20(21(26)29-6-2)18-12-7-8-13-19(18)24/h7-14H,5-6H2,1-4H3,(H-,25,27,28)/p+1