2-bromanyl-N1,N3-bis[(2S)-1-chloranyl-3-phenyl-propan-2-yl]benzene-1,3-dicarboxamide

Systemtic Name: 2-bromanyl-N1,N3-bis[(2S)-1-chloranyl-3-phenyl-propan-2-yl]benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis[(1S)-1-benzyl-2-chloro-ethyl]-2-bromo-benzene-1,3-dicarboxamide CAS Name: 2-bromo-N1,N3-bis[(2S)-1-chloro-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide IUPAC Name: 2-bromo-1-N,3-N-bis[(2S)-1-chloro-3-phenylpropan-2-yl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[(1S)-1-benzyl-2-chloro-ethyl]-2-bromo-isophthalamide Formula: C26H25BrCl2N2O2 MolecularWeight: 548.2989

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCl)NC(=O)C2=C(C(=CC=C2)C(=O)NC(CC3=CC=CC=C3)CCl)Br

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CCl)NC(=O)C2=C(C(=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)CCl)Br

InChI

InChI=1S/C26H25BrCl2N2O2/c27-24-22(25(32)30-20(16-28)14-18-8-3-1-4-9-18)12-7-13-23(24)26(33)31-21(17-29)15-19-10-5-2-6-11-19/h1-13,20-21H,14-17H2,(H,30,32)(H,31,33)/t20-,21-/m0/s1