tert-butyl N-[(2S)-1-(4-methoxyphenyl)but-3-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(4-methoxyphenyl)but-3-yn-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-methoxyphenyl)methyl]prop-2-ynyl]carbamate CAS Name: N-[(2S)-1-(4-methoxyphenyl)but-3-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(4-methoxyphenyl)but-3-yn-2-yl]carbamate Traditional Name: N-[(1S)-1-p-anisylprop-2-ynyl]carbamic acid tert-butyl ester Formula: C16H21NO3 MolecularWeight: 275.34284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO3/c1-6-13(17-15(18)20-16(2,3)4)11-12-7-9-14(19-5)10-8-12/h1,7-10,13H,11H2,2-5H3,(H,17,18)/t13-/m1/s1