ethyl 1-[3-cyano-1-(2,4-dimethylphenyl)pyrrol-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-cyano-1-(2,4-dimethylphenyl)pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-cyano-1-(2,4-dimethylphenyl)-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-cyano-1-(2,4-dimethylphenyl)pyrrole-2-carbonyl]nipecotic acid ethyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CN2C3=C(C=C(C=C3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CN2C3=C(C=C(C=C3)C)C)C#N

InChI

InChI=1S/C22H25N3O3/c1-4-28-22(27)18-6-5-10-24(14-18)21(26)20-17(13-23)9-11-25(20)19-8-7-15(2)12-16(19)3/h7-9,11-12,18H,4-6,10,14H2,1-3H3