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

Systemtic Name: ethyl 1-[3-cyano-1-(2,3-dimethylphenyl)pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-cyano-1-(2,3-dimethylphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-cyano-1-(2,3-dimethylphenyl)-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-cyano-1-(2,3-dimethylphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-cyano-1-(2,3-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=CC=CC(=C3C)C)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C=CN2C3=CC=CC(=C3C)C)C#N

InChI

InChI=1S/C22H25N3O3/c1-4-28-22(27)18-8-6-11-24(14-18)21(26)20-17(13-23)10-12-25(20)19-9-5-7-15(2)16(19)3/h5,7,9-10,12,18H,4,6,8,11,14H2,1-3H3