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

Systemtic Name: 2-[[2-[(4-tert-butylphenyl)methylamino]-5-iodanyl-phenyl]carbonylamino]-3-[4-(4-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[[2-[(4-tert-butylphenyl)methylamino]-5-iodo-benzoyl]amino]-3-[4-(4-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[2-[(4-tert-butylphenyl)methylamino]-5-iodophenyl]-oxomethyl]amino]-3-[4-(4-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[2-[(4-tert-butylphenyl)methylamino]-5-iodobenzoyl]amino]-3-[4-(4-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[[2-[(4-tert-butylbenzyl)amino]-5-iodo-benzoyl]amino]-3-[4-(4-phenoxyphenyl)phenyl]propionic acid Formula: C39H37IN2O4 MolecularWeight: 724.62655

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)I)C(=O)NC(CC3=CC=C(C=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC2=C(C=C(C=C2)I)C(=O)NC(CC3=CC=C(C=C3)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C39H37IN2O4/c1-39(2,3)30-17-11-27(12-18-30)25-41-35-22-19-31(40)24-34(35)37(43)42-36(38(44)45)23-26-9-13-28(14-10-26)29-15-20-33(21-16-29)46-32-7-5-4-6-8-32/h4-22,24,36,41H,23,25H2,1-3H3,(H,42,43)(H,44,45)