benzene; [4-oxidanylidene-3-[2-(phenylmethoxycarbonylamino)propanoylamino]azetidin-2-yl] ethanoate

Systemtic Name: benzene; [4-oxidanylidene-3-[2-(phenylmethoxycarbonylamino)propanoylamino]azetidin-2-yl] ethanoate Openeye Name: benzene; [3-[2-(benzyloxycarbonylamino)propanoylamino]-4-oxo-azetidin-2-yl] acetate CAS Name: acetic acid [4-oxo-3-[[1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-2-azetidinyl] ester; benzene IUPAC Name: benzene; [4-oxo-3-[2-(phenylmethoxycarbonylamino)propanoylamino]azetidin-2-yl] acetate Traditional Name: acetic acid [3-[2-(benzyloxycarbonylamino)propanoylamino]-4-keto-azetidin-2-yl] ester; benzene Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(NC1=O)OC(=O)C)NC(=O)OCC2=CC=CC=C2.C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)NC1C(NC1=O)OC(=O)C)NC(=O)OCC2=CC=CC=C2.C1=CC=CC=C1

InChI

InChI=1S/C16H19N3O6.C6H6/c1-9(17-16(23)24-8-11-6-4-3-5-7-11)13(21)18-12-14(22)19-15(12)25-10(2)20;1-2-4-6-5-3-1/h3-7,9,12,15H,8H2,1-2H3,(H,17,23)(H,18,21)(H,19,22);1-6H