[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NC(C)(C#N)C2CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)C

InChI

InChI=1S/C18H22N2O3/c1-11-7-12(2)16(13(3)8-11)17(22)23-9-15(21)20-18(4,10-19)14-5-6-14/h7-8,14H,5-6,9H2,1-4H3,(H,20,21)/t18-/m1/s1