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

Systemtic Name: propan-2-yl 4-(4-cyanophenyl)-2,5-dimethyl-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H23N3O2 MolecularWeight: 373.44762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O2/c1-15(2)28-23(27)22-17(4)26(14-19-6-5-11-25-13-19)16(3)21(22)20-9-7-18(12-24)8-10-20/h5-11,13,15H,14H2,1-4H3