(4-bromophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-bromophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-bromophenyl)methyl 2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-butyric acid (4-bromobenzyl) ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22BrNO4/c1-14(2)18(19(23)25-12-16-8-10-17(21)11-9-16)22-20(24)26-13-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,22,24)