(phenylmethyl) 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-ethynyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C16H15NO2 MolecularWeight: 253.2958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#C)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C#C)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H15NO2/c1-4-14-11(2)15(17-12(14)3)16(18)19-10-13-8-6-5-7-9-13/h1,5-9,17H,10H2,2-3H3