tert-butyl N-[(2S)-4-oxidanylidene-1-phenyl-hept-5-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-oxidanylidene-1-phenyl-hept-5-yn-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-3-oxo-hex-4-ynyl]carbamate CAS Name: N-[(2S)-4-oxo-1-phenylhept-5-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-oxo-1-phenylhept-5-yn-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-3-keto-hex-4-ynyl]carbamic acid tert-butyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)CC(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC#CC(=O)C[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H23NO3/c1-5-9-16(20)13-15(12-14-10-7-6-8-11-14)19-17(21)22-18(2,3)4/h6-8,10-11,15H,12-13H2,1-4H3,(H,19,21)/t15-/m0/s1