ethyl 5-[3-[[4-(trifluoromethyloxy)phenyl]carbamoyloxy]prop-1-ynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-[3-[[4-(trifluoromethyloxy)phenyl]carbamoyloxy]prop-1-ynyl]pyridine-3-carboxylate Openeye Name: ethyl 5-[3-[[4-(trifluoromethoxy)phenyl]carbamoyloxy]prop-1-ynyl]pyridine-3-carboxylate CAS Name: 5-[3-[oxo-[4-(trifluoromethoxy)anilino]methoxy]prop-1-ynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[[4-(trifluoromethoxy)phenyl]carbamoyloxy]prop-1-ynyl]pyridine-3-carboxylate Traditional Name: 5-[3-[[4-(trifluoromethoxy)phenyl]carbamoyloxy]prop-1-ynyl]nicotinic acid ethyl ester Formula: C19H15F3N2O5 MolecularWeight: 408.32801

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=CC(=C1)C#CCOC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CN=CC(=C1)C#CCOC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C19H15F3N2O5/c1-2-27-17(25)14-10-13(11-23-12-14)4-3-9-28-18(26)24-15-5-7-16(8-6-15)29-19(20,21)22/h5-8,10-12H,2,9H2,1H3,(H,24,26)