[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)benzoic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O5 MolecularWeight: 348.39356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)OCC(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)C2=CC=C(C=C2)OCC(=O)N

InChI

InChI=1S/C18H24N2O5/c1-12(17(22)20-14-5-3-2-4-6-14)25-18(23)13-7-9-15(10-8-13)24-11-16(19)21/h7-10,12,14H,2-6,11H2,1H3,(H2,19,21)(H,20,22)/t12-/m0/s1