ethyl 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate

Systemtic Name: ethyl 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Openeye Name: ethyl 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate CAS Name: 4-(2-cyanoethyl)-1-(4-fluorophenyl)-5-pyrrolo[3,2-b]pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylate Traditional Name: 4-(2-cyanoethyl)-1-(4-fluorophenyl)pyrrolo[3,2-b]pyrrole-5-carboxylic acid ethyl ester Formula: C18H16FN3O2 MolecularWeight: 325.336943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CCC#N)C=CN2C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CCC#N)C=CN2C3=CC=C(C=C3)F

InChI

InChI=1S/C18H16FN3O2/c1-2-24-18(23)17-12-16-15(22(17)10-3-9-20)8-11-21(16)14-6-4-13(19)5-7-14/h4-8,11-12H,2-3,10H2,1H3