[2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(1-phenylbutylamino)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(1-phenylbutylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylbutylamino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(1-phenylbutylamino)ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H20N2O3/c1-2-6-18(16-7-4-3-5-8-16)22-19(23)14-25-20(24)17-11-9-15(13-21)10-12-17/h3-5,7-12,18H,2,6,14H2,1H3,(H,22,23)