tert-butyl 4-[(2S,3R)-3-ethyl-3-methyl-4-oxidanylidene-1-[[(1R)-1-phenylbutyl]carbamoyl]azetidin-2-yl]oxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)N2C(C(C2=O)(C)CC)OC3=CC=C(C=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)N2[C@H]([C@@](C2=O)(C)CC)OC3=CC=C(C=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H36N2O5/c1-7-12-22(19-13-10-9-11-14-19)29-26(33)30-24(32)28(6,8-2)25(30)34-21-17-15-20(16-18-21)23(31)35-27(3,4)5/h9-11,13-18,22,25H,7-8,12H2,1-6H3,(H,29,33)/t22-,25+,28+/m1/s1