[2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)C1=CC(=CC=C1)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)C1=CC(=CC=C1)Br

InChI

InChI=1S/C17H22BrNO5/c1-17(2,3)24-16(22)19-9-5-8-15(21)23-11-14(20)12-6-4-7-13(18)10-12/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,19,22)