(phenylmethyl) 2-[2-(3-bromanyl-2,2-dimethoxy-propoxy)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-2-enoate

Systemtic Name: (phenylmethyl) 2-[2-(3-bromanyl-2,2-dimethoxy-propoxy)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[2-(3-bromo-2,2-dimethoxy-propoxy)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[2-(3-bromo-2,2-dimethoxypropoxy)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methyl-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-bromo-2,2-dimethoxypropoxy)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[2-(3-bromo-2,2-dimethoxy-propoxy)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C28H33BrN2O7 MolecularWeight: 589.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)OCC(CBr)(OC)OC)C

Isomeric SMILES

CC(=C(C(=O)OCC1=CC=CC=C1)N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)OCC(CBr)(OC)OC)C

InChI

InChI=1S/C28H33BrN2O7/c1-19(2)24(27(34)37-16-21-13-9-6-10-14-21)31-25(33)23(26(31)38-18-28(17-29,35-3)36-4)30-22(32)15-20-11-7-5-8-12-20/h5-14,23,26H,15-18H2,1-4H3,(H,30,32)