1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-pyridin-3-yl-pyrrole-3-carboxylic acid

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-pyridin-3-yl-pyrrole-3-carboxylic acid Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-pyridyl)pyrrole-3-carboxylic acid CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-pyridinyl)-3-pyrrolecarboxylic acid IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-pyridin-3-ylpyrrole-3-carboxylic acid Traditional Name: 1-homoveratryl-2-methyl-5-(3-pyridyl)pyrrole-3-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-14-17(21(24)25)12-18(16-5-4-9-22-13-16)23(14)10-8-15-6-7-19(26-2)20(11-15)27-3/h4-7,9,11-13H,8,10H2,1-3H3,(H,24,25)