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

Systemtic Name: (phenylmethyl) 4-ethyl-5-methanoyl-3-methyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylate Traditional Name: 4-ethyl-5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO3/c1-3-13-11(2)15(17-14(13)9-18)16(19)20-10-12-7-5-4-6-8-12/h4-9,17H,3,10H2,1-2H3