ethyl 4-(4-cyanophenyl)-2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-2,5-dimethyl-1-(3-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-(3-pyridinylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-(3-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CN=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CN=CC=C3)C

InChI

InChI=1S/C22H21N3O2/c1-4-27-22(26)21-16(3)25(14-18-6-5-11-24-13-18)15(2)20(21)19-9-7-17(12-23)8-10-19/h5-11,13H,4,14H2,1-3H3