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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCC(CC3)C(=O)OCC)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCC(CC3)C(=O)OCC)C#N

InChI

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