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

Systemtic Name: 2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1-isopropyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid CAS Name: 2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-1-indol-1-iumyl)-2-(3-hydroxyphenyl)propanoic acid IUPAC Name: 2-(3-ethoxycarbonyl-2-methyl-1-propan-2-ylindol-1-ium-1-yl)-2-(3-hydroxyphenyl)propanoic acid Traditional Name: 2-(3-carbethoxy-1-isopropyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)propionic acid Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H27NO5/c1-6-30-22(27)21-16(4)25(15(2)3,20-13-8-7-12-19(20)21)24(5,23(28)29)17-10-9-11-18(26)14-17/h7-15H,6H2,1-5H3,(H-,26,28,29)/p+1