2-[[5-bromanyl-2-[(4-bromophenyl)carbonylamino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(4-bromophenyl)carbonylamino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[5-bromo-2-[(4-bromobenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-bromo-2-[[(4-bromophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-bromo-2-[(4-bromobenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[5-bromo-2-[(4-bromobenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C35H26Br2N2O5 MolecularWeight: 714.39934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC(=C4)Br)NC(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC(=C4)Br)NC(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C35H26Br2N2O5/c36-25-16-14-24(15-17-25)33(40)38-30-19-18-26(37)21-29(30)34(41)39-31(35(42)43)20-22-10-12-23(13-11-22)28-8-4-5-9-32(28)44-27-6-2-1-3-7-27/h1-19,21,31H,20H2,(H,38,40)(H,39,41)(H,42,43)