2-[[5-bromanyl-2-[(4-tert-butylphenyl)methylamino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-[[5-bromanyl-2-[(4-tert-butylphenyl)methylamino]phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[5-bromo-2-[(4-tert-butylphenyl)methylamino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-bromo-2-[(4-tert-butylphenyl)methylamino]phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-bromo-2-[(4-tert-butylphenyl)methylamino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[5-bromo-2-[(4-tert-butylbenzyl)amino]benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C39H37BrN2O4 MolecularWeight: 677.62608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)Br)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)Br)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C39H37BrN2O4/c1-39(2,3)29-19-15-27(16-20-29)25-41-34-22-21-30(40)24-33(34)37(43)42-35(38(44)45)23-26-13-17-28(18-14-26)32-11-7-8-12-36(32)46-31-9-5-4-6-10-31/h4-22,24,35,41H,23,25H2,1-3H3,(H,42,43)(H,44,45)