3-(4-azanylbutyl)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-[4-chloranyl-3-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]-1H-indole-5-carboxylic acid Formula: C20H18ClF3N2O2 MolecularWeight: 410.81733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCCCN)C(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF3N2O2/c21-16-6-4-11(10-15(16)20(22,23)24)18-13(3-1-2-8-25)14-9-12(19(27)28)5-7-17(14)26-18/h4-7,9-10,26H,1-3,8,25H2,(H,27,28)