2-[4-[1-(4-bromophenyl)-5-methyl-3-propyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-[1-(4-bromophenyl)-5-methyl-3-propyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-(4-bromophenyl)-5-methyl-3-propyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-(4-bromophenyl)-5-methyl-3-propyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-(4-bromophenyl)-5-methyl-3-propylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-(4-bromophenyl)-5-methyl-3-propyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C29H28BrNO3 MolecularWeight: 518.44152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=C1)C)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1=C(N(C(=C1)C)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C29H28BrNO3/c1-3-7-23-18-20(2)31(25-14-12-24(30)13-15-25)28(23)22-10-16-26(17-11-22)34-27(29(32)33)19-21-8-5-4-6-9-21/h4-6,8-18,27H,3,7,19H2,1-2H3,(H,32,33)