ethyl 2,2-bis(fluoranyl)-3-[(4-methoxyphenyl)amino]hex-5-ynoate

Systemtic Name: ethyl 2,2-bis(fluoranyl)-3-[(4-methoxyphenyl)amino]hex-5-ynoate Openeye Name: ethyl 2,2-difluoro-3-(4-methoxyanilino)hex-5-ynoate CAS Name: 2,2-difluoro-3-(4-methoxyanilino)-5-hexynoic acid ethyl ester IUPAC Name: ethyl 2,2-difluoro-3-(4-methoxyanilino)hex-5-ynoate Traditional Name: 2,2-difluoro-3-(p-anisidino)hex-5-ynoic acid ethyl ester Formula: C15H17F2NO3 MolecularWeight: 297.297186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC#C)NC1=CC=C(C=C1)OC)(F)F

Isomeric SMILES

CCOC(=O)C(C(CC#C)NC1=CC=C(C=C1)OC)(F)F

InChI

InChI=1S/C15H17F2NO3/c1-4-6-13(15(16,17)14(19)21-5-2)18-11-7-9-12(20-3)10-8-11/h1,7-10,13,18H,5-6H2,2-3H3