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

Systemtic Name: (phenylmethyl) 4-ethyl-2-methanoyl-5-phenyl-1H-pyrrole-3-carboxylate Openeye Name: benzyl 4-ethyl-2-formyl-5-phenyl-1H-pyrrole-3-carboxylate CAS Name: 4-ethyl-2-formyl-5-phenyl-1H-pyrrole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-2-formyl-5-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 4-ethyl-2-formyl-5-phenyl-1H-pyrrole-3-carboxylic acid benzyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO3/c1-2-17-19(21(24)25-14-15-9-5-3-6-10-15)18(13-23)22-20(17)16-11-7-4-8-12-16/h3-13,22H,2,14H2,1H3