3-(4-azanylbutyl)-7-chloranyl-2-(2-iodanylphenyl)-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-(2-iodanylphenyl)-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(2-iodophenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2-iodophenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(2-iodophenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(2-iodophenyl)-1H-indole-4-carboxylic acid Formula: C19H18ClIN2O2 MolecularWeight: 468.71589

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN)I

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN)I

InChI

InChI=1S/C19H18ClIN2O2/c20-14-9-8-13(19(24)25)16-12(6-3-4-10-22)17(23-18(14)16)11-5-1-2-7-15(11)21/h1-2,5,7-9,23H,3-4,6,10,22H2,(H,24,25)