5,5-diphenylpiperidin-2-one; ethyl 4-cyano-4,4-diphenyl-butanoate

Systemtic Name: 5,5-diphenylpiperidin-2-one; ethyl 4-cyano-4,4-diphenyl-butanoate Openeye Name: 5,5-diphenylpiperidin-2-one; ethyl 4-cyano-4,4-diphenyl-butanoate CAS Name: 4-cyano-4,4-diphenylbutanoic acid ethyl ester; 5,5-diphenyl-2-piperidinone IUPAC Name: 5,5-diphenylpiperidin-2-one; ethyl 4-cyano-4,4-diphenylbutanoate Traditional Name: 4-cyano-4,4-diphenyl-butyric acid ethyl ester; 5,5-diphenyl-2-piperidone Formula: C36H36N2O3 MolecularWeight: 544.68264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2.C1CC(CNC1=O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2.C1CC(CNC1=O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H19NO2.C17H17NO/c1-2-22-18(21)13-14-19(15-20,16-9-5-3-6-10-16)17-11-7-4-8-12-17;19-16-11-12-17(13-18-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h3-12H,2,13-14H2,1H3;1-10H,11-13H2,(H,18,19)