[(1R)-1-[(3S)-1-hex-5-enoyl-2-oxidanylidene-azetidin-3-yl]ethyl] 4-phenylbutanoate

Systemtic Name: [(1R)-1-[(3S)-1-hex-5-enoyl-2-oxidanylidene-azetidin-3-yl]ethyl] 4-phenylbutanoate Openeye Name: [(1R)-1-[(3S)-1-hex-5-enoyl-2-oxo-azetidin-3-yl]ethyl] 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid [(1R)-1-[(3S)-2-oxo-1-(1-oxohex-5-enyl)-3-azetidinyl]ethyl] ester IUPAC Name: [(1R)-1-[(3S)-1-hex-5-enoyl-2-oxoazetidin-3-yl]ethyl] 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid [(1R)-1-[(3S)-1-hex-5-enoyl-2-keto-azetidin-3-yl]ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(C1=O)C(=O)CCCC=C)OC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@H]1CN(C1=O)C(=O)CCCC=C)OC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO4/c1-3-4-6-13-19(23)22-15-18(21(22)25)16(2)26-20(24)14-9-12-17-10-7-5-8-11-17/h3,5,7-8,10-11,16,18H,1,4,6,9,12-15H2,2H3/t16-,18+/m1/s1