[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-12(2)4-5-13(3)19-16(20)11-22-17(21)15-8-6-14(10-18)7-9-15/h6-9,12-13H,4-5,11H2,1-3H3,(H,19,20)/t13-/m0/s1