methyl 4-[(3-fluorophenyl)-methyl-amino]but-2-ynoate

Systemtic Name: methyl 4-[(3-fluorophenyl)-methyl-amino]but-2-ynoate Openeye Name: methyl 4-(3-fluoro-N-methyl-anilino)but-2-ynoate CAS Name: 4-(3-fluoro-N-methylanilino)-2-butynoic acid methyl ester IUPAC Name: methyl 4-(3-fluoro-N-methylanilino)but-2-ynoate Traditional Name: 4-(3-fluoro-N-methyl-anilino)but-2-ynoic acid methyl ester Formula: C12H12FNO2 MolecularWeight: 221.227583

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC(=O)OC)C1=CC(=CC=C1)F

Isomeric SMILES

CN(CC#CC(=O)OC)C1=CC(=CC=C1)F

InChI

InChI=1S/C12H12FNO2/c1-14(8-4-7-12(15)16-2)11-6-3-5-10(13)9-11/h3,5-6,9H,8H2,1-2H3