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

Systemtic Name: 2-[(5-bromanyl-2-butan-2-yloxy-phenyl)carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[(5-bromo-2-sec-butoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[(5-bromo-2-butan-2-yloxyphenyl)-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[(5-bromo-2-butan-2-yloxybenzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[(5-bromo-2-sec-butoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C32H30BrNO5 MolecularWeight: 588.4883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=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

CCC(C)OC1=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/c1-3-21(2)38-30-18-17-24(33)20-27(30)31(35)34-28(32(36)37)19-22-13-15-23(16-14-22)26-11-7-8-12-29(26)39-25-9-5-4-6-10-25/h4-18,20-21,28H,3,19H2,1-2H3,(H,34,35)(H,36,37)