ethyl 5-ethyl-1-(phenylmethyl)-4-pyridin-4-yl-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-ethyl-1-(phenylmethyl)-4-pyridin-4-yl-pyrrole-3-carboxylate Openeye Name: ethyl 1-benzyl-5-ethyl-4-(4-pyridyl)pyrrole-3-carboxylate CAS Name: 5-ethyl-1-(phenylmethyl)-4-pyridin-4-yl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-5-ethyl-4-pyridin-4-ylpyrrole-3-carboxylate Traditional Name: 1-benzyl-5-ethyl-4-(4-pyridyl)pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2/c1-3-19-20(17-10-12-22-13-11-17)18(21(24)25-4-2)15-23(19)14-16-8-6-5-7-9-16/h5-13,15H,3-4,14H2,1-2H3