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

Systemtic Name: 3-(4-azanylbutyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-7-methyl-2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxylic acid Formula: C21H21F3N2O2 MolecularWeight: 390.39885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N2O2/c1-12-8-9-16(20(27)28)17-15(7-2-3-10-25)19(26-18(12)17)13-5-4-6-14(11-13)21(22,23)24/h4-6,8-9,11,26H,2-3,7,10,25H2,1H3,(H,27,28)