2-[[5-chloranyl-2-[(2,4-dichlorophenyl)carbonyl-[(4-phenylphenyl)methyl]amino]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[5-chloranyl-2-[(2,4-dichlorophenyl)carbonyl-[(4-phenylphenyl)methyl]amino]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[5-chloro-2-[(2,4-dichlorobenzoyl)-[(4-phenylphenyl)methyl]amino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[5-chloro-2-[[(2,4-dichlorophenyl)-oxomethyl]-[(4-phenylphenyl)methyl]amino]phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[5-chloro-2-[(2,4-dichlorobenzoyl)-[(4-phenylphenyl)methyl]amino]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[5-chloro-2-[(2,4-dichlorobenzoyl)-(4-phenylbenzyl)amino]benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C42H31Cl3N2O4 MolecularWeight: 734.06554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Cl)N(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)C6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC(=C3)Cl)N(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)C6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C42H31Cl3N2O4/c43-33-20-22-39(36(24-33)40(48)46-38(42(50)51)23-27-11-15-31(16-12-27)29-7-3-1-4-8-29)47(41(49)35-21-19-34(44)25-37(35)45)26-28-13-17-32(18-14-28)30-9-5-2-6-10-30/h1-22,24-25,38H,23,26H2,(H,46,48)(H,50,51)