3-(4-azanylbutyl)-2-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-[2-chloranyl-5-(trifluoromethyl)phenyl]-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-[2-chloro-5-(trifluoromethyl)phenyl]-7-methyl-1H-indole-4-carboxylic acid Formula: C21H20ClF3N2O2 MolecularWeight: 424.84391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CC(=C3)C(F)(F)F)Cl)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=C(C=CC(=C3)C(F)(F)F)Cl)CCCCN

InChI

InChI=1S/C21H20ClF3N2O2/c1-11-5-7-14(20(28)29)17-13(4-2-3-9-26)19(27-18(11)17)15-10-12(21(23,24)25)6-8-16(15)22/h5-8,10,27H,2-4,9,26H2,1H3,(H,28,29)