phenyl (2S,3S)-3-[(4-bromophenyl)amino]-2-methyl-3-phenyl-propanoate

Systemtic Name: phenyl (2S,3S)-3-[(4-bromophenyl)amino]-2-methyl-3-phenyl-propanoate Openeye Name: phenyl (2S,3S)-3-(4-bromoanilino)-2-methyl-3-phenyl-propanoate CAS Name: (2S,3S)-3-(4-bromoanilino)-2-methyl-3-phenylpropanoic acid phenyl ester IUPAC Name: phenyl (2S,3S)-3-(4-bromoanilino)-2-methyl-3-phenylpropanoate Traditional Name: (2S,3S)-3-(4-bromoanilino)-2-methyl-3-phenyl-propionic acid phenyl ester Formula: C22H20BrNO2 MolecularWeight: 410.3037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)NC2=CC=C(C=C2)Br)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)NC2=CC=C(C=C2)Br)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H20BrNO2/c1-16(22(25)26-20-10-6-3-7-11-20)21(17-8-4-2-5-9-17)24-19-14-12-18(23)13-15-19/h2-16,21,24H,1H3/t16-,21-/m0/s1