tert-butyl 3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: tert-butyl 3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-3-(4-bromophenyl)propanoate CAS Name: 3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-(4-bromophenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-bromophenyl)propionic acid tert-butyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24BrNO4/c1-21(2,3)27-19(24)18(13-15-9-11-17(22)12-10-15)23-20(25)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,23,25)