3-(4-azanylbutyl)-2-[2,4-bis(fluoranyl)phenyl]-7-chloranyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-[2,4-bis(fluoranyl)phenyl]-7-chloranyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-(2,4-difluorophenyl)-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-(2,4-difluorophenyl)-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-(2,4-difluorophenyl)-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-(2,4-difluorophenyl)-1H-indole-4-carboxylic acid Formula: C19H17ClF2N2O2 MolecularWeight: 378.800286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)F)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

Isomeric SMILES

C1=CC(=C(C=C1F)F)C2=C(C3=C(C=CC(=C3N2)Cl)C(=O)O)CCCCN

InChI

InChI=1S/C19H17ClF2N2O2/c20-14-7-6-13(19(25)26)16-12(3-1-2-8-23)17(24-18(14)16)11-5-4-10(21)9-15(11)22/h4-7,9,24H,1-3,8,23H2,(H,25,26)