[(2R,3S,4R)-3-oxidanyl-4-(phenylmethoxycarbonylamino)hex-5-yn-2-yl] benzoate

Systemtic Name: [(2R,3S,4R)-3-oxidanyl-4-(phenylmethoxycarbonylamino)hex-5-yn-2-yl] benzoate Openeye Name: [(1R,2S,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-1-methyl-pent-4-ynyl] benzoate CAS Name: benzoic acid [(2R,3S,4R)-3-hydroxy-4-(phenylmethoxycarbonylamino)hex-5-yn-2-yl] ester IUPAC Name: [(2R,3S,4R)-3-hydroxy-4-(phenylmethoxycarbonylamino)hex-5-yn-2-yl] benzoate Traditional Name: benzoic acid [(1R,2S,3R)-3-(benzyloxycarbonylamino)-2-hydroxy-1-methyl-pent-4-ynyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-3-18(22-21(25)26-14-16-10-6-4-7-11-16)19(23)15(2)27-20(24)17-12-8-5-9-13-17/h1,4-13,15,18-19,23H,14H2,2H3,(H,22,25)/t15-,18-,19-/m1/s1