1-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]but-2-yn-1-one

Systemtic Name: 1-[(3S)-3-(4-phenoxyphenyl)carbonylpiperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[(3S)-3-(4-phenoxybenzoyl)-1-piperidyl]but-2-yn-1-one CAS Name: 1-[(3S)-3-[oxo-(4-phenoxyphenyl)methyl]-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[(3S)-3-(4-phenoxybenzoyl)piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[(3S)-3-(4-phenoxybenzoyl)piperidino]but-2-yn-1-one Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)N1CCCC(C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC#CC(=O)N1CCC[C@@H](C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3/c1-2-7-21(24)23-15-6-8-18(16-23)22(25)17-11-13-20(14-12-17)26-19-9-4-3-5-10-19/h3-5,9-14,18H,6,8,15-16H2,1H3/t18-/m0/s1