tert-butyl 3-[(2S,3S)-4-oxidanylidene-3-(phenylcarbonyloxy)azetidin-2-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(2S,3S)-4-oxidanylidene-3-(phenylcarbonyloxy)azetidin-2-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(2S,3S)-3-benzoyloxy-4-oxo-azetidin-2-yl]indole-1-carboxylate CAS Name: 3-[(2S,3S)-3-benzoyloxy-4-oxo-2-azetidinyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2S,3S)-3-benzoyloxy-4-oxoazetidin-2-yl]indole-1-carboxylate Traditional Name: 3-[(2S,3S)-3-benzoyloxy-4-keto-azetidin-2-yl]indole-1-carboxylic acid tert-butyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3C(C(=O)N3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@H]3[C@@H](C(=O)N3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O5/c1-23(2,3)30-22(28)25-13-16(15-11-7-8-12-17(15)25)18-19(20(26)24-18)29-21(27)14-9-5-4-6-10-14/h4-13,18-19H,1-3H3,(H,24,26)/t18-,19-/m0/s1