(phenylmethyl) 4-ethyl-2-methanoyl-5-pyridin-4-yl-1H-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 4-ethyl-2-methanoyl-5-pyridin-4-yl-1H-pyrrole-3-carboxylate Openeye Name: benzyl 4-ethyl-2-formyl-5-(4-pyridyl)-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-formyl-5-pyridin-4-yl-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-2-formyl-5-pyridin-4-yl-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-(4-pyridyl)-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C=O)C3=CC=NC=C3

Isomeric SMILES

CCC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C=O)C3=CC=NC=C3

InChI

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