ethyl 5-(4-chlorophenyl)carbonyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-chlorophenyl)carbonyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-chlorobenzoyl)-1-(2-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 5-[(4-chlorophenyl)-oxomethyl]-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-chlorobenzoyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 5-(4-chlorobenzoyl)-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C20H17ClN2O3 MolecularWeight: 368.81358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=C1)C(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CN(C(=C1)C(=O)C2=CC=C(C=C2)Cl)CC3=CC=CC=N3

InChI

InChI=1S/C20H17ClN2O3/c1-2-26-20(25)15-11-18(19(24)14-6-8-16(21)9-7-14)23(12-15)13-17-5-3-4-10-22-17/h3-12H,2,13H2,1H3