bis(diphenylmethyl) 2-[1-adamantyloxycarbonyl-(3-methyl-2-oxidanylidene-azetidin-1-yl)amino]propanedioate

Systemtic Name: bis(diphenylmethyl) 2-[1-adamantyloxycarbonyl-(3-methyl-2-oxidanylidene-azetidin-1-yl)amino]propanedioate Openeye Name: dibenzhydryl 2-[1-adamantyloxycarbonyl-(3-methyl-2-oxo-azetidin-1-yl)amino]propanedioate CAS Name: 2-[[1-adamantyloxy(oxo)methyl]-(3-methyl-2-oxo-1-azetidinyl)amino]propanedioic acid bis(diphenylmethyl) ester IUPAC Name: dibenzhydryl 2-[1-adamantyloxycarbonyl-(3-methyl-2-oxoazetidin-1-yl)amino]propanedioate Traditional Name: 2-[1-adamantyloxycarbonyl-(2-keto-3-methyl-azetidin-1-yl)amino]malonic acid dibenzhydryl ester Formula: C44H44N2O7 MolecularWeight: 712.82936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C1=O)N(C(C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC67CC8CC(C6)CC(C8)C7

Isomeric SMILES

CC1CN(C1=O)N(C(C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C44H44N2O7/c1-29-28-45(40(29)47)46(43(50)53-44-25-30-22-31(26-44)24-32(23-30)27-44)37(41(48)51-38(33-14-6-2-7-15-33)34-16-8-3-9-17-34)42(49)52-39(35-18-10-4-11-19-35)36-20-12-5-13-21-36/h2-21,29-32,37-39H,22-28H2,1H3