methyl 2-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]-3-[4-(4-phenoxyphenyl)phenyl]propanoate

Systemtic Name: methyl 2-[(5-bromanyl-2-oxidanyl-phenyl)carbonylamino]-3-[4-(4-phenoxyphenyl)phenyl]propanoate Openeye Name: methyl 2-[(5-bromo-2-hydroxy-benzoyl)amino]-3-[4-(4-phenoxyphenyl)phenyl]propanoate CAS Name: 2-[[(5-bromo-2-hydroxyphenyl)-oxomethyl]amino]-3-[4-(4-phenoxyphenyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-3-[4-(4-phenoxyphenyl)phenyl]propanoate Traditional Name: 2-[(5-bromo-2-hydroxy-benzoyl)amino]-3-[4-(4-phenoxyphenyl)phenyl]propionic acid methyl ester Formula: C29H24BrNO5 MolecularWeight: 546.40856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)Br)O

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C29H24BrNO5/c1-35-29(34)26(31-28(33)25-18-22(30)13-16-27(25)32)17-19-7-9-20(10-8-19)21-11-14-24(15-12-21)36-23-5-3-2-4-6-23/h2-16,18,26,32H,17H2,1H3,(H,31,33)