3-cyanopropyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 3-cyanopropyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 3-cyanopropyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid 3-cyanopropyl ester Formula: C17H17FN2O2 MolecularWeight: 300.327483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCCCC#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCCCC#N

InChI

InChI=1S/C17H17FN2O2/c1-12-11-16(17(21)22-10-4-3-9-19)13(2)20(12)15-7-5-14(18)6-8-15/h5-8,11H,3-4,10H2,1-2H3