ethyl 2-cyano-3-ethyl-3-(2-phenylethynyl)heptanoate

Systemtic Name: ethyl 2-cyano-3-ethyl-3-(2-phenylethynyl)heptanoate Openeye Name: ethyl 2-cyano-3-ethyl-3-(2-phenylethynyl)heptanoate CAS Name: 2-cyano-3-ethyl-3-(2-phenylethynyl)heptanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-ethyl-3-(2-phenylethynyl)heptanoate Traditional Name: 3-butyl-2-cyano-3-ethyl-5-phenyl-pent-4-ynoic acid ethyl ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C#CC1=CC=CC=C1)C(C#N)C(=O)OCC

Isomeric SMILES

CCCCC(CC)(C#CC1=CC=CC=C1)C(C#N)C(=O)OCC

InChI

InChI=1S/C20H25NO2/c1-4-7-14-20(5-2,18(16-21)19(22)23-6-3)15-13-17-11-9-8-10-12-17/h8-12,18H,4-7,14H2,1-3H3