[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C17H23BrN2O5 MolecularWeight: 415.27892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCNC(=O)OC(C)(C)C

InChI

InChI=1S/C17H23BrN2O5/c1-11-9-12(18)5-6-13(11)20-14(21)10-24-15(22)7-8-19-16(23)25-17(2,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,19,23)(H,20,21)