1-phenylazanylethyl 3-cyanobutanoate

Systemtic Name: 1-phenylazanylethyl 3-cyanobutanoate Openeye Name: 1-anilinoethyl 3-cyanobutanoate CAS Name: 3-cyanobutanoic acid 1-anilinoethyl ester IUPAC Name: 1-anilinoethyl 3-cyanobutanoate Traditional Name: 3-cyanobutyric acid 1-anilinoethyl ester Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)NC1=CC=CC=C1)C#N

Isomeric SMILES

CC(CC(=O)OC(C)NC1=CC=CC=C1)C#N

InChI

InChI=1S/C13H16N2O2/c1-10(9-14)8-13(16)17-11(2)15-12-6-4-3-5-7-12/h3-7,10-11,15H,8H2,1-2H3