methyl 2-(cyclohexylamino)-3-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxylate

Systemtic Name: methyl 2-(cyclohexylamino)-3-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxylate Openeye Name: methyl 2-(cyclohexylamino)-3-[3-(trifluoromethyl)phenyl]benzofuran-5-carboxylate CAS Name: 2-(cyclohexylamino)-3-[3-(trifluoromethyl)phenyl]-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexylamino)-3-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-carboxylate Traditional Name: 2-(cyclohexylamino)-3-[3-(trifluoromethyl)phenyl]benzofuran-5-carboxylic acid methyl ester Formula: C23H22F3NO3 MolecularWeight: 417.42089

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=C2C3=CC(=CC=C3)C(F)(F)F)NC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=C2C3=CC(=CC=C3)C(F)(F)F)NC4CCCCC4

InChI

InChI=1S/C23H22F3NO3/c1-29-22(28)15-10-11-19-18(13-15)20(14-6-5-7-16(12-14)23(24,25)26)21(30-19)27-17-8-3-2-4-9-17/h5-7,10-13,17,27H,2-4,8-9H2,1H3