2-[5-bromanylheptan-2-yloxy(phenylcarbonyl)amino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[5-bromanylheptan-2-yloxy(phenylcarbonyl)amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[benzoyl-(4-bromo-1-methyl-hexoxy)amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[benzoyl(5-bromoheptan-2-yloxy)amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[benzoyl(5-bromoheptan-2-yloxy)amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[benzoyl-(4-bromo-1-methyl-hexoxy)amino]-3-(4-phenylphenyl)propionic acid Formula: C29H32BrNO4 MolecularWeight: 538.47268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)ON(C(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CCC(CCC(C)ON(C(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C29H32BrNO4/c1-3-26(30)19-14-21(2)35-31(28(32)25-12-8-5-9-13-25)27(29(33)34)20-22-15-17-24(18-16-22)23-10-6-4-7-11-23/h4-13,15-18,21,26-27H,3,14,19-20H2,1-2H3,(H,33,34)