ethyl 1-[4-(2-phenylethynyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(2-phenylethynyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(2-phenylethynyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2-phenylethynyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(2-phenylethynyl)benzoyl]isonipecotic acid ethyl ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H23NO3/c1-2-27-23(26)21-14-16-24(17-15-21)22(25)20-12-10-19(11-13-20)9-8-18-6-4-3-5-7-18/h3-7,10-13,21H,2,14-17H2,1H3