[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[(3,5-ditert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[(3,5-ditert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-[(3,5-ditert-butylbenzoyl)amino]acetate CAS Name: 2-[[(3,5-ditert-butylphenyl)-oxomethyl]amino]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-[(3,5-ditert-butylbenzoyl)amino]acetate Traditional Name: 2-[(3,5-ditert-butylbenzoyl)amino]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C25H30BrNO4 MolecularWeight: 488.414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C25H30BrNO4/c1-24(2,3)18-11-17(12-19(13-18)25(4,5)6)23(30)27-14-22(29)31-15-21(28)16-7-9-20(26)10-8-16/h7-13H,14-15H2,1-6H3,(H,27,30)