tert-butyl (2S)-2-[(2R,3S)-4-oxidanylidene-3-phenylmethoxy-1-(phenylmethyl)azetidin-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2R,3S)-4-oxidanylidene-3-phenylmethoxy-1-(phenylmethyl)azetidin-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(2R,3S)-1-benzyl-3-benzyloxy-4-oxo-azetidin-2-yl]piperidine-1-carboxylate CAS Name: (2S)-2-[(2R,3S)-4-oxo-3-phenylmethoxy-1-(phenylmethyl)-2-azetidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl]piperidine-1-carboxylate Traditional Name: (2S)-2-[(2R,3S)-3-benzoxy-1-benzyl-4-keto-azetidin-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCCC1C2C(C(=O)N2CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]2[C@@H](C(=O)N2CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H34N2O4/c1-27(2,3)33-26(31)28-17-11-10-16-22(28)23-24(32-19-21-14-8-5-9-15-21)25(30)29(23)18-20-12-6-4-7-13-20/h4-9,12-15,22-24H,10-11,16-19H2,1-3H3/t22-,23+,24-/m0/s1