2-[4-[2-[4-[2-[2-(aziridin-1-yl)butanoyloxy]ethoxy]-3-bromanyl-phenyl]propan-2-yl]-2-bromanyl-phenoxy]ethyl 2-(aziridin-1-yl)butanoate

Systemtic Name: 2-[4-[2-[4-[2-[2-(aziridin-1-yl)butanoyloxy]ethoxy]-3-bromanyl-phenyl]propan-2-yl]-2-bromanyl-phenoxy]ethyl 2-(aziridin-1-yl)butanoate Openeye Name: 2-[4-[1-[4-[2-[2-(aziridin-1-yl)butanoyloxy]ethoxy]-3-bromo-phenyl]-1-methyl-ethyl]-2-bromo-phenoxy]ethyl 2-(aziridin-1-yl)butanoate CAS Name: 2-(1-aziridinyl)butanoic acid 2-[4-[2-[4-[2-[2-(1-aziridinyl)-1-oxobutoxy]ethoxy]-3-bromophenyl]propan-2-yl]-2-bromophenoxy]ethyl ester IUPAC Name: 2-[4-[2-[4-[2-[2-(aziridin-1-yl)butanoyloxy]ethoxy]-3-bromophenyl]propan-2-yl]-2-bromophenoxy]ethyl 2-(aziridin-1-yl)butanoate Traditional Name: 2-ethyleniminobutyric acid 2-[2-bromo-4-[1-[3-bromo-4-[2-(2-ethyleniminobutanoyloxy)ethoxy]phenyl]-1-methyl-ethyl]phenoxy]ethyl ester Formula: C31H40Br2N2O6 MolecularWeight: 696.4671

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCCOC1=C(C=C(C=C1)C(C)(C)C2=CC(=C(C=C2)OCCOC(=O)C(CC)N3CC3)Br)Br)N4CC4

Isomeric SMILES

CCC(C(=O)OCCOC1=C(C=C(C=C1)C(C)(C)C2=CC(=C(C=C2)OCCOC(=O)C(CC)N3CC3)Br)Br)N4CC4

InChI

InChI=1S/C31H40Br2N2O6/c1-5-25(34-11-12-34)29(36)40-17-15-38-27-9-7-21(19-23(27)32)31(3,4)22-8-10-28(24(33)20-22)39-16-18-41-30(37)26(6-2)35-13-14-35/h7-10,19-20,25-26H,5-6,11-18H2,1-4H3