tert-butyl 4-(3-oxidanylidene-4-phenyl-but-1-ynyl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-oxidanylidene-4-phenyl-but-1-ynyl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(3-oxo-4-phenyl-but-1-ynyl)piperidine-1-carboxylate CAS Name: 4-(3-oxo-4-phenylbut-1-ynyl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-oxo-4-phenylbut-1-ynyl)piperidine-1-carboxylate Traditional Name: 4-(3-keto-4-phenyl-but-1-ynyl)piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C#CC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C#CC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-13-11-16(12-14-21)9-10-18(22)15-17-7-5-4-6-8-17/h4-8,16H,11-15H2,1-3H3