ethyl 2-acetamido-2-cyano-4-(4-octylphenyl)butanoate

Systemtic Name: ethyl 2-acetamido-2-cyano-4-(4-octylphenyl)butanoate Openeye Name: ethyl 2-acetamido-2-cyano-4-(4-octylphenyl)butanoate CAS Name: 2-acetamido-2-cyano-4-(4-octylphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-2-cyano-4-(4-octylphenyl)butanoate Traditional Name: 2-acetamido-2-cyano-4-(4-octylphenyl)butyric acid ethyl ester Formula: C23H34N2O3 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(C#N)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(C#N)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C23H34N2O3/c1-4-6-7-8-9-10-11-20-12-14-21(15-13-20)16-17-23(18-24,25-19(3)26)22(27)28-5-2/h12-15H,4-11,16-17H2,1-3H3,(H,25,26)