ethyl 4-(3-phenylpropyl)-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxylate CAS Name: 1-(1-oxo-3-phenylprop-2-ynyl)-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(3-phenylprop-2-ynoyl)piperidine-4-carboxylate Traditional Name: 1-(3-phenylpropioloyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C#CC2=CC=CC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C#CC2=CC=CC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H29NO3/c1-2-30-25(29)26(17-9-14-22-10-5-3-6-11-22)18-20-27(21-19-26)24(28)16-15-23-12-7-4-8-13-23/h3-8,10-13H,2,9,14,17-21H2,1H3