butyl 4-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: butyl 4-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: butyl 4-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethoxy]benzoic acid butyl ester Formula: C19H26N2O4 MolecularWeight: 346.42074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OCC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OCC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C19H26N2O4/c1-5-6-11-24-18(23)15-7-9-16(10-8-15)25-12-17(22)21-19(4,13-20)14(2)3/h7-10,14H,5-6,11-12H2,1-4H3,(H,21,22)/t19-/m1/s1