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

Systemtic Name: 2-[[5-chloranyl-2-[(4-phenylphenyl)amino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[5-chloro-2-(4-phenylanilino)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-chloro-2-(4-phenylanilino)phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-chloro-2-(4-phenylanilino)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[5-chloro-2-(4-phenylanilino)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C40H31ClN2O4 MolecularWeight: 639.13814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)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)C2=CC=C(C=C2)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/C40H31ClN2O4/c41-31-21-24-36(42-32-22-19-29(20-23-32)28-9-3-1-4-10-28)35(26-31)39(44)43-37(40(45)46)25-27-15-17-30(18-16-27)34-13-7-8-14-38(34)47-33-11-5-2-6-12-33/h1-24,26,37,42H,25H2,(H,43,44)(H,45,46)