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

Systemtic Name: 2-[[5-chloranyl-2-[(2-phenoxyphenyl)carbonylamino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[5-chloro-2-[(2-phenoxybenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-chloro-2-[[oxo-(2-phenoxyphenyl)methyl]amino]phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-chloro-2-[(2-phenoxybenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[5-chloro-2-[(2-phenoxybenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C41H31ClN2O6 MolecularWeight: 683.14764

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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)Cl)NC(=O)C5=CC=CC=C5OC6=CC=CC=C6

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)Cl)NC(=O)C5=CC=CC=C5OC6=CC=CC=C6

InChI

InChI=1S/C41H31ClN2O6/c42-29-23-24-35(43-39(45)33-16-8-10-18-38(33)50-31-13-5-2-6-14-31)34(26-29)40(46)44-36(41(47)48)25-27-19-21-28(22-20-27)32-15-7-9-17-37(32)49-30-11-3-1-4-12-30/h1-24,26,36H,25H2,(H,43,45)(H,44,46)(H,47,48)