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

Systemtic Name: 2-[[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[(5-bromo-2-isobutoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-bromo-2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[(5-bromo-2-isobutoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C32H30BrNO5 MolecularWeight: 588.4883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3OC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3OC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C32H30BrNO5/c1-21(2)20-38-29-17-16-24(33)19-27(29)31(35)34-28(32(36)37)18-22-12-14-23(15-13-22)26-10-6-7-11-30(26)39-25-8-4-3-5-9-25/h3-17,19,21,28H,18,20H2,1-2H3,(H,34,35)(H,36,37)