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

Systemtic Name: (phenylmethyl) 2-[2-(3-bromanyl-2,2-diethoxy-propoxy)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-2-enoate Openeye Name: benzyl 2-[2-(3-bromo-2,2-diethoxy-propoxy)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoate CAS Name: 2-[2-(3-bromo-2,2-diethoxypropoxy)-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-diethoxypropoxy)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-2-enoate Traditional Name: 2-[2-(3-bromo-2,2-diethoxy-propoxy)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-2-enoic acid benzyl ester Formula: C30H37BrN2O7 MolecularWeight: 617.52798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(COC1C(C(=O)N1C(=C(C)C)C(=O)OCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)(CBr)OCC

Isomeric SMILES

CCOC(COC1C(C(=O)N1C(=C(C)C)C(=O)OCC2=CC=CC=C2)NC(=O)CC3=CC=CC=C3)(CBr)OCC

InChI

InChI=1S/C30H37BrN2O7/c1-5-39-30(19-31,40-6-2)20-38-28-25(32-24(34)17-22-13-9-7-10-14-22)27(35)33(28)26(21(3)4)29(36)37-18-23-15-11-8-12-16-23/h7-16,25,28H,5-6,17-20H2,1-4H3,(H,32,34)