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

Systemtic Name: 2-(4-chloranyl-3-oxidanyl-phenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-indol-1-ium-1-yl)propanoic acid Openeye Name: 2-(4-chloro-3-hydroxy-phenyl)-2-(3-ethoxycarbonyl-1-isopropyl-2-methyl-indol-1-ium-1-yl)propanoic acid CAS Name: 2-(4-chloro-3-hydroxyphenyl)-2-(3-ethoxycarbonyl-2-methyl-1-propan-2-yl-1-indol-1-iumyl)propanoic acid IUPAC Name: 2-(4-chloro-3-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-(4-chloro-3-hydroxy-phenyl)propionic acid Formula: C24H27ClNO5+ MolecularWeight: 444.92788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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