tert-butyl 4-[(2S,3S)-3-butan-2-yl-3-ethyl-4-oxidanylidene-1-[(phenylmethyl)carbamoyl]azetidin-2-yl]oxybenzoate

Systemtic Name: tert-butyl 4-[(2S,3S)-3-butan-2-yl-3-ethyl-4-oxidanylidene-1-[(phenylmethyl)carbamoyl]azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[(2S,3S)-1-(benzylcarbamoyl)-3-ethyl-4-oxo-3-sec-butyl-azetidin-2-yl]oxybenzoate CAS Name: 4-[[(2S,3S)-3-butan-2-yl-3-ethyl-4-oxo-1-[oxo-[(phenylmethyl)amino]methyl]-2-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S,3S)-1-(benzylcarbamoyl)-3-butan-2-yl-3-ethyl-4-oxoazetidin-2-yl]oxybenzoate Traditional Name: 4-[(2S,3S)-1-(benzylcarbamoyl)-3-ethyl-4-keto-3-sec-butyl-azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C28H36N2O5 MolecularWeight: 480.59584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(C(N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCC(C)[C@]1([C@@H](N(C1=O)C(=O)NCC2=CC=CC=C2)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C28H36N2O5/c1-7-19(3)28(8-2)24(32)30(26(33)29-18-20-12-10-9-11-13-20)25(28)34-22-16-14-21(15-17-22)23(31)35-27(4,5)6/h9-17,19,25H,7-8,18H2,1-6H3,(H,29,33)/t19?,25-,28+/m0/s1