methyl 1-non-2-ynylpyrrole-2-carboxylate

Systemtic Name: methyl 1-non-2-ynylpyrrole-2-carboxylate Openeye Name: methyl 1-non-2-ynylpyrrole-2-carboxylate CAS Name: 1-non-2-ynyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-non-2-ynylpyrrole-2-carboxylate Traditional Name: 1-non-2-ynylpyrrole-2-carboxylic acid methyl ester Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCN1C=CC=C1C(=O)OC

Isomeric SMILES

CCCCCCC#CCN1C=CC=C1C(=O)OC

InChI

InChI=1S/C15H21NO2/c1-3-4-5-6-7-8-9-12-16-13-10-11-14(16)15(17)18-2/h10-11,13H,3-7,12H2,1-2H3