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

Systemtic Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid Openeye Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propanoic acid CAS Name: 2-[4-[1-(4-bromophenyl)-5-methyl-2-pyrrolyl]phenoxy]-3-phenylpropanoic acid IUPAC Name: 2-[4-[1-(4-bromophenyl)-5-methylpyrrol-2-yl]phenoxy]-3-phenylpropanoic acid Traditional Name: 2-[4-[1-(4-bromophenyl)-5-methyl-pyrrol-2-yl]phenoxy]-3-phenyl-propionic acid Formula: C26H22BrNO3 MolecularWeight: 476.36178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)OC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H22BrNO3/c1-18-7-16-24(28(18)22-12-10-21(27)11-13-22)20-8-14-23(15-9-20)31-25(26(29)30)17-19-5-3-2-4-6-19/h2-16,25H,17H2,1H3,(H,29,30)