ethyl 1-but-2-ynoyl-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-but-2-ynoyl-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-but-2-ynoyl-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate CAS Name: 4-[(3-fluorophenyl)methyl]-1-(1-oxobut-2-ynyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-but-2-ynoyl-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-but-2-ynoyl-4-(3-fluorobenzyl)isonipecotic acid ethyl ester Formula: C19H22FNO3 MolecularWeight: 331.381283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C#CC)CC2=CC(=CC=C2)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C#CC)CC2=CC(=CC=C2)F

InChI

InChI=1S/C19H22FNO3/c1-3-6-17(22)21-11-9-19(10-12-21,18(23)24-4-2)14-15-7-5-8-16(20)13-15/h5,7-8,13H,4,9-12,14H2,1-2H3