[4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate

Systemtic Name: [4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate Openeye Name: [4-[bis(2-bromoethyl)amino]phenyl] 2-isopropylbenzoate CAS Name: 2-propan-2-ylbenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-bromoethyl)amino]phenyl] 2-propan-2-ylbenzoate Traditional Name: 2-isopropylbenzoic acid [4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C20H23Br2NO2 MolecularWeight: 469.21012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr

Isomeric SMILES

CC(C)C1=CC=CC=C1C(=O)OC2=CC=C(C=C2)N(CCBr)CCBr

InChI

InChI=1S/C20H23Br2NO2/c1-15(2)18-5-3-4-6-19(18)20(24)25-17-9-7-16(8-10-17)23(13-11-21)14-12-22/h3-10,15H,11-14H2,1-2H3