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

Systemtic Name: 2-[[5-bromanyl-2-(3-methylbutoxy)phenyl]carbonylamino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Openeye Name: 2-[(5-bromo-2-isopentyloxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid CAS Name: 2-[[[5-bromo-2-(3-methylbutoxy)phenyl]-oxomethyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid IUPAC Name: 2-[[5-bromo-2-(3-methylbutoxy)benzoyl]amino]-3-[4-(2-phenoxyphenyl)phenyl]propanoic acid Traditional Name: 2-[(5-bromo-2-isoamoxy-benzoyl)amino]-3-[4-(2-phenoxyphenyl)phenyl]propionic acid Formula: C33H32BrNO5 MolecularWeight: 602.51488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=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)CCOC1=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/C33H32BrNO5/c1-22(2)18-19-39-30-17-16-25(34)21-28(30)32(36)35-29(33(37)38)20-23-12-14-24(15-13-23)27-10-6-7-11-31(27)40-26-8-4-3-5-9-26/h3-17,21-22,29H,18-20H2,1-2H3,(H,35,36)(H,37,38)