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

Systemtic Name: 3-(4-azanylbutyl)-7-chloranyl-2-[2-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-chloro-2-[2-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-chloro-2-[2-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-chloro-2-[2-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-chloro-2-[2-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid Formula: C20H18ClF3N2O2 MolecularWeight: 410.81733

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClF3N2O2/c21-15-9-8-13(19(27)28)16-12(6-3-4-10-25)17(26-18(15)16)11-5-1-2-7-14(11)20(22,23)24/h1-2,5,7-9,26H,3-4,6,10,25H2,(H,27,28)