(phenylmethyl) N-[(3S,4S,5R)-3-methyl-5-oxidanyl-4-phenylmethoxy-hex-1-yn-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S,4S,5R)-3-methyl-5-oxidanyl-4-phenylmethoxy-hex-1-yn-3-yl]carbamate Openeye Name: benzyl N-[(1S,2S,3R)-2-benzyloxy-1-ethynyl-3-hydroxy-1-methyl-butyl]carbamate CAS Name: N-[(3S,4S,5R)-5-hydroxy-3-methyl-4-phenylmethoxyhex-1-yn-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S,4S,5R)-5-hydroxy-3-methyl-4-phenylmethoxyhex-1-yn-3-yl]carbamate Traditional Name: N-[(1S)-1-[(1S,2R)-1-benzoxy-2-hydroxy-propyl]-1-methyl-prop-2-ynyl]carbamic acid benzyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C)(C#C)NC(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)O

Isomeric SMILES

C[C@H]([C@H]([C@](C)(C#C)NC(=O)OCC1=CC=CC=C1)OCC2=CC=CC=C2)O

InChI

InChI=1S/C22H25NO4/c1-4-22(3,23-21(25)27-16-19-13-9-6-10-14-19)20(17(2)24)26-15-18-11-7-5-8-12-18/h1,5-14,17,20,24H,15-16H2,2-3H3,(H,23,25)/t17-,20-,22+/m1/s1