tert-butyl (2R,3S)-2-hexyl-3-phenyl-azetidine-1-carboxylate

Systemtic Name: tert-butyl (2R,3S)-2-hexyl-3-phenyl-azetidine-1-carboxylate Openeye Name: tert-butyl (2R,3S)-2-hexyl-3-phenyl-azetidine-1-carboxylate CAS Name: (2R,3S)-2-hexyl-3-phenyl-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2R,3S)-2-hexyl-3-phenylazetidine-1-carboxylate Traditional Name: (2R,3S)-2-hexyl-3-phenyl-azetidine-1-carboxylic acid tert-butyl ester Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C(CN1C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCCCC[C@@H]1[C@H](CN1C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C20H31NO2/c1-5-6-7-11-14-18-17(16-12-9-8-10-13-16)15-21(18)19(22)23-20(2,3)4/h8-10,12-13,17-18H,5-7,11,14-15H2,1-4H3/t17-,18-/m1/s1