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

Systemtic Name: ethyl 5-(4-methylphenyl)carbonyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate hydrochloride Openeye Name: ethyl 5-(4-methylbenzoyl)-1-(2-pyridylmethyl)pyrrole-3-carboxylate hydrochloride CAS Name: 5-[(4-methylphenyl)-oxomethyl]-1-(2-pyridinylmethyl)-3-pyrrolecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 5-(4-methylbenzoyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxylate hydrochloride Traditional Name: 5-p-toluoyl-1-(2-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester hydrochloride Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3.ClH/c1-3-26-21(25)17-12-19(20(24)16-9-7-15(2)8-10-16)23(13-17)14-18-6-4-5-11-22-18;/h4-13H,3,14H2,1-2H3;1H