[2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1S)-1-methylhexyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-heptan-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[[(1S)-1-methylhexyl]amino]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=C(C=C1)C#N

Isomeric SMILES

CCCCC[C@H](C)NC(=O)COC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C17H22N2O3/c1-3-4-5-6-13(2)19-16(20)12-22-17(21)15-9-7-14(11-18)8-10-15/h7-10,13H,3-6,12H2,1-2H3,(H,19,20)/t13-/m0/s1