(phenylmethyl) 4-(2-cyanoethyl)-5-methanoyl-3-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(2-cyanoethyl)-5-methanoyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(2-cyanoethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-cyanoethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-cyanoethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-cyanoethyl)-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC#N)C=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1CCC#N)C=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H16N2O3/c1-12-14(8-5-9-18)15(10-20)19-16(12)17(21)22-11-13-6-3-2-4-7-13/h2-4,6-7,10,19H,5,8,11H2,1H3