[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-iodanylbenzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3-iodanylbenzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C17H19IN2O3 MolecularWeight: 426.24883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)OC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C17H19IN2O3/c1-12(23-16(22)13-6-5-7-14(18)10-13)15(21)20-17(11-19)8-3-2-4-9-17/h5-7,10,12H,2-4,8-9H2,1H3,(H,20,21)/t12-/m1/s1