[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)CCNC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)CCNC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C18H25BrN2O4/c1-12(2)21(13(3)4)16(22)11-25-17(23)9-10-20-18(24)14-5-7-15(19)8-6-14/h5-8,12-13H,9-11H2,1-4H3,(H,20,24)