4-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-pyrrole-3-carboxylic acid Openeye Name: 4-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-pyrrole-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-pyrrolecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpyrrole-3-carboxylic acid Traditional Name: 4-(4-chlorophenyl)-1-homoveratryl-2-methyl-pyrrole-3-carboxylic acid Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CN1CCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=CN1CCC2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H22ClNO4/c1-14-21(22(25)26)18(16-5-7-17(23)8-6-16)13-24(14)11-10-15-4-9-19(27-2)20(12-15)28-3/h4-9,12-13H,10-11H2,1-3H3,(H,25,26)