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

Systemtic Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-ethylhexyl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(2S)-2-ethylhexyl]amino]-2-keto-ethyl] ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)COC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)COC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C18H24N2O3/c1-3-5-6-14(4-2)12-20-17(21)13-23-18(22)16-9-7-15(11-19)8-10-16/h7-10,14H,3-6,12-13H2,1-2H3,(H,20,21)/t14-/m0/s1