ethyl 1-[(4-chlorophenyl)methyl]-5-ethyl-4-pyridin-4-yl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[(4-chlorophenyl)methyl]-5-ethyl-4-pyridin-4-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[(4-chlorophenyl)methyl]-5-ethyl-4-(4-pyridyl)pyrrole-3-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-5-ethyl-4-pyridin-4-yl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-chlorophenyl)methyl]-5-ethyl-4-pyridin-4-ylpyrrole-3-carboxylate Traditional Name: 1-(4-chlorobenzyl)-5-ethyl-4-(4-pyridyl)pyrrole-3-carboxylic acid ethyl ester Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CN1CC2=CC=C(C=C2)Cl)C(=O)OCC)C3=CC=NC=C3

Isomeric SMILES

CCC1=C(C(=CN1CC2=CC=C(C=C2)Cl)C(=O)OCC)C3=CC=NC=C3

InChI

InChI=1S/C21H21ClN2O2/c1-3-19-20(16-9-11-23-12-10-16)18(21(25)26-4-2)14-24(19)13-15-5-7-17(22)8-6-15/h5-12,14H,3-4,13H2,1-2H3