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

Systemtic Name: tert-butyl 4-[(2S,3R)-3-ethyl-3-methyl-4-oxidanylidene-1-[[(1S)-1-phenylpropyl]carbamoyl]azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[(2S,3R)-3-ethyl-3-methyl-4-oxo-1-[[(1S)-1-phenylpropyl]carbamoyl]azetidin-2-yl]oxybenzoate CAS Name: 4-[[(2S,3R)-3-ethyl-3-methyl-4-oxo-1-[oxo-[[(1S)-1-phenylpropyl]amino]methyl]-2-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S,3R)-3-ethyl-3-methyl-4-oxo-1-[[(1S)-1-phenylpropyl]carbamoyl]azetidin-2-yl]oxybenzoate Traditional Name: 4-[(2S,3R)-3-ethyl-4-keto-3-methyl-1-[[(1S)-1-phenylpropyl]carbamoyl]azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CC[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/C27H34N2O5/c1-7-21(18-12-10-9-11-13-18)28-25(32)29-23(31)27(6,8-2)24(29)33-20-16-14-19(15-17-20)22(30)34-26(3,4)5/h9-17,21,24H,7-8H2,1-6H3,(H,28,32)/t21-,24-,27-/m0/s1