[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C19H24N2O4 MolecularWeight: 344.40486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)(C#N)C2CC2

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)N[C@](C)(C#N)C2CC2

InChI

InChI=1S/C19H24N2O4/c1-13(2)10-24-16-8-4-14(5-9-16)18(23)25-11-17(22)21-19(3,12-20)15-6-7-15/h4-5,8-9,13,15H,6-7,10-11H2,1-3H3,(H,21,22)/t19-/m1/s1