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

Systemtic Name: methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-(pyridin-4-ylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-cyanophenyl)-2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-2,5-dimethyl-1-(4-pyridylmethyl)pyrrole-3-carboxylic acid methyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=NC=C2)C)C(=O)OC)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=NC=C2)C)C(=O)OC)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O2/c1-14-19(18-6-4-16(12-22)5-7-18)20(21(25)26-3)15(2)24(14)13-17-8-10-23-11-9-17/h4-11H,13H2,1-3H3