(phenylmethyl) N-[(4S,5S)-5-methyl-5-oxidanyl-7-phenyl-hept-1-en-6-yn-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(4S,5S)-5-methyl-5-oxidanyl-7-phenyl-hept-1-en-6-yn-4-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[(1S)-1-hydroxy-1-methyl-3-phenyl-prop-2-ynyl]but-3-enyl]carbamate CAS Name: N-[(4S,5S)-5-hydroxy-5-methyl-7-phenylhept-1-en-6-yn-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(4S,5S)-5-hydroxy-5-methyl-7-phenylhept-1-en-6-yn-4-yl]carbamate Traditional Name: N-[(1S)-1-[(1S)-1-hydroxy-1-methyl-3-phenyl-prop-2-ynyl]but-3-enyl]carbamic acid benzyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC=CC=C1)(C(CC=C)NC(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@](C#CC1=CC=CC=C1)([C@H](CC=C)NC(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C22H23NO3/c1-3-10-20(22(2,25)16-15-18-11-6-4-7-12-18)23-21(24)26-17-19-13-8-5-9-14-19/h3-9,11-14,20,25H,1,10,17H2,2H3,(H,23,24)/t20-,22-/m0/s1