(3-cyanophenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid (3-cyanobenzyl) ester Formula: C17H18N2O2 MolecularWeight: 282.33702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC2=CC=CC(=C2)C#N)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC2=CC=CC(=C2)C#N)C

InChI

InChI=1S/C17H18N2O2/c1-4-19-12(2)8-16(13(19)3)17(20)21-11-15-7-5-6-14(9-15)10-18/h5-9H,4,11H2,1-3H3