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

Systemtic Name: ethyl 1-[3-cyano-1-(4-ethylphenyl)pyrrol-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-cyano-1-(4-ethylphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-cyano-1-(4-ethylphenyl)-2-pyrrolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-cyano-1-(4-ethylphenyl)pyrrole-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-cyano-1-(4-ethylphenyl)pyrrole-2-carbonyl]nipecotic 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)N3CCCC(C3)C(=O)OCC)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C=CC(=C2C(=O)N3CCCC(C3)C(=O)OCC)C#N

InChI

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