(phenylmethyl) (2S)-2-[2-(2-oxidanylidene-4-phenyl-azetidin-1-yl)ethanoylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[2-(2-oxidanylidene-4-phenyl-azetidin-1-yl)ethanoylamino]propanoate Openeye Name: benzyl (2S)-2-[[2-(2-oxo-4-phenyl-azetidin-1-yl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(2-oxo-4-phenyl-1-azetidinyl)ethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-(2-oxo-4-phenylazetidin-1-yl)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(2-keto-4-phenyl-azetidin-1-yl)acetyl]amino]propionic acid benzyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NC(=O)CN2C(CC2=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)CN2C(CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-15(21(26)27-14-16-8-4-2-5-9-16)22-19(24)13-23-18(12-20(23)25)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,22,24)/t15-,18?/m0/s1