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

Systemtic Name: 2-[(5-chloranyl-2-phenylazanyl-phenyl)carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[(2-anilino-5-chloro-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[(2-anilino-5-chlorophenyl)-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[(2-anilino-5-chlorobenzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[(2-anilino-5-chloro-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C34H27ClN2O4 MolecularWeight: 563.04218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)Cl)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)Cl)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C34H27ClN2O4/c35-25-19-20-30(36-26-9-3-1-4-10-26)29(22-25)33(38)37-31(34(39)40)21-23-15-17-24(18-16-23)28-13-7-8-14-32(28)41-27-11-5-2-6-12-27/h1-20,22,31,36H,21H2,(H,37,38)(H,39,40)