4-[[2-azanyl-4-[phenyl(2-phenylethanoyl)amino]phenyl]methyl]benzoic acid

Systemtic Name: 4-[[2-azanyl-4-[phenyl(2-phenylethanoyl)amino]phenyl]methyl]benzoic acid Openeye Name: 4-[[2-amino-4-(N-(2-phenylacetyl)anilino)phenyl]methyl]benzoic acid CAS Name: 4-[[2-amino-4-(N-(1-oxo-2-phenylethyl)anilino)phenyl]methyl]benzoic acid IUPAC Name: 4-[[2-amino-4-(N-(2-phenylacetyl)anilino)phenyl]methyl]benzoic acid Traditional Name: 4-[2-amino-4-(N-(2-phenylacetyl)anilino)benzyl]benzoic acid Formula: C28H24N2O3 MolecularWeight: 436.50176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)N(C2=CC=CC=C2)C3=CC(=C(C=C3)CC4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)N(C2=CC=CC=C2)C3=CC(=C(C=C3)CC4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C28H24N2O3/c29-26-19-25(16-15-23(26)17-21-11-13-22(14-12-21)28(32)33)30(24-9-5-2-6-10-24)27(31)18-20-7-3-1-4-8-20/h1-16,19H,17-18,29H2,(H,32,33)