2-(3-chloranyl-5-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-indol-1-ium-1-yl)propanoic acid

Systemtic Name: 2-(3-chloranyl-5-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-indol-1-ium-1-yl)propanoic acid Openeye Name: 2-(3-chloro-5-hydroxy-phenyl)-2-(3-ethoxycarbonyl-1-isopropyl-2-methyl-indol-1-ium-1-yl)propanoic acid CAS Name: 2-(3-chloro-5-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-1-indol-1-iumyl)propanoic acid IUPAC Name: 2-(3-chloro-5-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-ylindol-1-ium-1-yl)propanoic acid Traditional Name: 2-(3-carbethoxy-1-isopropyl-2-methyl-indol-1-ium-1-yl)-2-(3-chloro-5-hydroxy-phenyl)propionic acid Formula: C24H27ClNO5+ MolecularWeight: 444.92788

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

InChI

InChI=1S/C24H26ClNO5/c1-6-31-22(28)21-15(4)26(14(2)3,20-10-8-7-9-19(20)21)24(5,23(29)30)16-11-17(25)13-18(27)12-16/h7-14H,6H2,1-5H3,(H-,27,29,30)/p+1