hexadecyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate

Systemtic Name: hexadecyl 2-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-carboxylate Openeye Name: hexadecyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate CAS Name: 2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid hexadecyl ester IUPAC Name: hexadecyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate Traditional Name: 2-[3-(trifluoromethyl)anilino]nicotinic acid cetyl ester Formula: C29H41F3N2O2 MolecularWeight: 506.64325

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C29H41F3N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-36-28(35)26-20-17-21-33-27(26)34-25-19-16-18-24(23-25)29(30,31)32/h16-21,23H,2-15,22H2,1H3,(H,33,34)