1-[2-(4-bromophenyl)ethyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-(4-bromophenyl)ethyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-(4-bromophenyl)ethyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylic acid CAS Name: 1-[2-(4-bromophenyl)ethyl]-5-(4-methoxyphenyl)-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(4-bromophenyl)ethyl]-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxylic acid Traditional Name: 1-[2-(4-bromophenyl)ethyl]-5-(4-methoxyphenyl)-2-methyl-pyrrole-3-carboxylic acid Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO3/c1-14-19(21(24)25)13-20(16-5-9-18(26-2)10-6-16)23(14)12-11-15-3-7-17(22)8-4-15/h3-10,13H,11-12H2,1-2H3,(H,24,25)