ethyl 4-(4-cyanophenyl)-5-methyl-2-phenyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-(4-cyanophenyl)-5-methyl-2-phenyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: ethyl 4-(4-cyanophenyl)-5-methyl-2-phenyl-1-(3-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 4-(4-cyanophenyl)-5-methyl-2-phenyl-1-(3-pyridinylmethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-cyanophenyl)-5-methyl-2-phenyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Traditional Name: 4-(4-cyanophenyl)-5-methyl-2-phenyl-1-(3-pyridylmethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C27H23N3O2 MolecularWeight: 421.49042

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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)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C2=CC=C(C=C2)C#N)C)CC3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O2/c1-3-32-27(31)25-24(22-13-11-20(16-28)12-14-22)19(2)30(18-21-8-7-15-29-17-21)26(25)23-9-5-4-6-10-23/h4-15,17H,3,18H2,1-2H3