dimethyl 5-cyano-5-methyl-1-phenyl-2-piperidin-1-yl-2H-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 5-cyano-5-methyl-1-phenyl-2-piperidin-1-yl-2H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 5-cyano-5-methyl-1-phenyl-2-(1-piperidyl)-2H-pyrrole-3,4-dicarboxylate CAS Name: 5-cyano-5-methyl-1-phenyl-2-(1-piperidinyl)-2H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-cyano-5-methyl-1-phenyl-2-piperidin-1-yl-2H-pyrrole-3,4-dicarboxylate Traditional Name: 2-cyano-2-methyl-1-phenyl-5-piperidino-3-pyrroline-3,4-dicarboxylic acid dimethyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C(N1C2=CC=CC=C2)N3CCCCC3)C(=O)OC)C(=O)OC)C#N

Isomeric SMILES

CC1(C(=C(C(N1C2=CC=CC=C2)N3CCCCC3)C(=O)OC)C(=O)OC)C#N

InChI

InChI=1S/C21H25N3O4/c1-21(14-22)17(20(26)28-3)16(19(25)27-2)18(23-12-8-5-9-13-23)24(21)15-10-6-4-7-11-15/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3