[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-cyanobenzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C15H18N2O3/c1-3-13(4-2)17-14(18)10-20-15(19)12-7-5-11(9-16)6-8-12/h5-8,13H,3-4,10H2,1-2H3,(H,17,18)