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

Systemtic Name: 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)indol-1-ium-1-yl]-2-(3-hydroxyphenyl)ethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1-isobutyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid CAS Name: 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)-1-indol-1-iumyl]-2-(3-hydroxyphenyl)acetic acid IUPAC Name: 2-[3-ethoxycarbonyl-2-methyl-1-(2-methylpropyl)indol-1-ium-1-yl]-2-(3-hydroxyphenyl)acetic acid Traditional Name: 2-(3-carbethoxy-1-isobutyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic 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)(CC(C)C)C(C3=CC(=CC=C3)O)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5/c1-5-30-24(29)21-16(4)25(14-15(2)3,20-12-7-6-11-19(20)21)22(23(27)28)17-9-8-10-18(26)13-17/h6-13,15,22H,5,14H2,1-4H3,(H-,26,27,28)/p+1