2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[(3-chlorophenyl)methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(3-chlorobenzyl)-[3-(trifluoromethyl)benzyl]amino]methyl]thiazole-4-carboxylic acid Formula: C20H16ClF3N2O2S MolecularWeight: 440.86645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN(CC2=CC(=CC=C2)Cl)CC3=NC(=CS3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN(CC2=CC(=CC=C2)Cl)CC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C20H16ClF3N2O2S/c21-16-6-2-4-14(8-16)10-26(11-18-25-17(12-29-18)19(27)28)9-13-3-1-5-15(7-13)20(22,23)24/h1-8,12H,9-11H2,(H,27,28)