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

Systemtic Name: 2-[[5-chloranyl-2-[(4-phenoxyphenyl)carbonylamino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[5-chloro-2-[(4-phenoxybenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-chloro-2-[[oxo-(4-phenoxyphenyl)methyl]amino]phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-chloro-2-[(4-phenoxybenzoyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[5-chloro-2-[(4-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=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5OC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5OC6=CC=CC=C6)C(=O)O

InChI

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