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

Systemtic Name: (phenylmethyl) 5-(4-cyanophenyl)-4-ethyl-2-methanoyl-1H-pyrrole-3-carboxylate Openeye Name: benzyl 5-(4-cyanophenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate CAS Name: 5-(4-cyanophenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(4-cyanophenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-cyanophenyl)-4-ethyl-2-formyl-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3/c1-2-18-20(22(26)27-14-16-6-4-3-5-7-16)19(13-25)24-21(18)17-10-8-15(12-23)9-11-17/h3-11,13,24H,2,14H2,1H3