[2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(heptan-2-ylamino)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(1-methylhexylamino)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(heptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(heptan-2-ylamino)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(1-methylhexylamino)ethyl] ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-3-4-5-7-13(2)19-16(20)12-22-17(21)15-9-6-8-14(10-15)11-18/h6,8-10,13H,3-5,7,12H2,1-2H3,(H,19,20)