ditert-butyl 2-[[4-[bis(2-bromoethyl)amino]-3-methyl-phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl 2-[[4-[bis(2-bromoethyl)amino]-3-methyl-phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[[4-[bis(2-bromoethyl)amino]-3-methyl-benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[bis(2-bromoethyl)amino]-3-methylphenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-[bis(2-bromoethyl)amino]-3-methylbenzoyl]amino]pentanedioate Traditional Name: 2-[[4-[bis(2-bromoethyl)amino]-3-methyl-benzoyl]amino]glutaric acid ditert-butyl ester Formula: C25H38Br2N2O5 MolecularWeight: 606.38762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(CCBr)CCBr

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(CCBr)CCBr

InChI

InChI=1S/C25H38Br2N2O5/c1-17-16-18(8-10-20(17)29(14-12-26)15-13-27)22(31)28-19(23(32)34-25(5,6)7)9-11-21(30)33-24(2,3)4/h8,10,16,19H,9,11-15H2,1-7H3,(H,28,31)