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

Systemtic Name: 2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)ethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-1-isopropyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid CAS Name: 2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-1-indol-1-iumyl)-2-(3-hydroxyphenyl)acetic acid IUPAC Name: 2-(3-ethoxycarbonyl-2-methyl-1-propan-2-ylindol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid Traditional Name: 2-(3-carbethoxy-1-isopropyl-2-methyl-indol-1-ium-1-yl)-2-(3-hydroxyphenyl)acetic acid Formula: C23H26NO5+ MolecularWeight: 396.45624

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H25NO5/c1-5-29-23(28)20-15(4)24(14(2)3,19-12-7-6-11-18(19)20)21(22(26)27)16-9-8-10-17(25)13-16/h6-14,21H,5H2,1-4H3,(H-,25,26,27)/p+1