ethyl 5-(phenylcarbonyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate hydrochloride

Systemtic Name: ethyl 5-(phenylcarbonyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate hydrochloride Openeye Name: ethyl 5-benzoyl-1-(2-pyridylmethyl)pyrrole-3-carboxylate hydrochloride CAS Name: 5-benzoyl-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-benzoyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate hydrochloride Traditional Name: 5-benzoyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester hydrochloride Formula: C20H19ClN2O3 MolecularWeight: 370.82946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3.ClH/c1-2-25-20(24)16-12-18(19(23)15-8-4-3-5-9-15)22(13-16)14-17-10-6-7-11-21-17;/h3-13H,2,14H2,1H3;1H