[2-[[(2R)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[(2R)-octan-2-yl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[[(1R)-1-methylheptyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[[(2R)-octan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-octan-2-yl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[[(1R)-1-methylheptyl]amino]ethyl] ester Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-3-4-5-6-7-14(2)20-17(21)13-23-18(22)16-10-8-15(12-19)9-11-16/h8-11,14H,3-7,13H2,1-2H3,(H,20,21)/t14-/m1/s1