4-chloranylbut-2-ynyl 4-cyano-3,4-diphenyl-butanoate

Systemtic Name: 4-chloranylbut-2-ynyl 4-cyano-3,4-diphenyl-butanoate Openeye Name: 4-chlorobut-2-ynyl 4-cyano-3,4-diphenyl-butanoate CAS Name: 4-cyano-3,4-diphenylbutanoic acid 4-chlorobut-2-ynyl ester IUPAC Name: 4-chlorobut-2-ynyl 4-cyano-3,4-diphenylbutanoate Traditional Name: 4-cyano-3,4-diphenyl-butyric acid 4-chlorobut-2-ynyl ester Formula: C21H18ClNO2 MolecularWeight: 351.82612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC#CCCl)C(C#N)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC#CCCl)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C21H18ClNO2/c22-13-7-8-14-25-21(24)15-19(17-9-3-1-4-10-17)20(16-23)18-11-5-2-6-12-18/h1-6,9-12,19-20H,13-15H2