2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-indol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-indol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(4-chloro-3-hydroxy-phenyl)-2-(3-ethoxycarbonyl-1-isopropyl-2-methyl-indol-1-ium-1-yl)acetic acid CAS Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-1-indol-1-iumyl)acetic acid IUPAC Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-ylindol-1-ium-1-yl)acetic acid Traditional Name: 2-(3-carbethoxy-1-isopropyl-2-methyl-indol-1-ium-1-yl)-2-(4-chloro-3-hydroxy-phenyl)acetic acid Formula: C23H25ClNO5+ MolecularWeight: 430.9013

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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(=C(C=C3)Cl)O)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClNO5/c1-5-30-23(29)20-14(4)25(13(2)3,18-9-7-6-8-16(18)20)21(22(27)28)15-10-11-17(24)19(26)12-15/h6-13,21H,5H2,1-4H3,(H-,26,27,28)/p+1