(3-propyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate

Systemtic Name: (3-propyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate Openeye Name: (3-propyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid (3-propyl-3-oxetanyl)methyl ester IUPAC Name: (3-propyloxetan-3-yl)methyl 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid (3-propyloxetan-3-yl)methyl ester Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1(COC1)COC(=O)C2=CC=CN2

Isomeric SMILES

CCCC1(COC1)COC(=O)C2=CC=CN2

InChI

InChI=1S/C12H17NO3/c1-2-5-12(7-15-8-12)9-16-11(14)10-4-3-6-13-10/h3-4,6,13H,2,5,7-9H2,1H3