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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClIN2O2/c20-15-8-7-14(19(24)25)16-13(6-1-2-9-22)17(23-18(15)16)11-4-3-5-12(21)10-11/h3-5,7-8,10,23H,1-2,6,9,22H2,(H,24,25)