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

Systemtic Name: 2-[4-[1-[2-(4-bromophenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-[2-(4-bromophenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-[2-(4-bromophenyl)ethyl]-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-[2-(4-bromophenyl)ethyl]-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-[2-(4-bromophenyl)ethyl]-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C28H26BrNO3 MolecularWeight: 504.41494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1CCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(N1CCC2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H26BrNO3/c1-20-7-16-26(30(20)18-17-21-8-12-24(29)13-9-21)23-10-14-25(15-11-23)33-27(28(31)32)19-22-5-3-2-4-6-22/h2-16,27H,17-19H2,1H3,(H,31,32)