2-[(2-azanyl-5-bromanyl-phenyl)carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid

Systemtic Name: 2-[(2-azanyl-5-bromanyl-phenyl)carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[(2-amino-5-bromo-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[(2-amino-5-bromophenyl)-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[(2-amino-5-bromobenzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[(2-amino-5-bromo-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C28H23BrN2O4 MolecularWeight: 531.39722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC(=C4)Br)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC(=C4)Br)N

InChI

InChI=1S/C28H23BrN2O4/c29-20-14-15-24(30)23(17-20)27(32)31-25(28(33)34)16-18-10-12-19(13-11-18)22-8-4-5-9-26(22)35-21-6-2-1-3-7-21/h1-15,17,25H,16,30H2,(H,31,32)(H,33,34)