[(2S)-1-piperidin-1-ylpropan-2-yl] 4-chloranylbenzoate

Systemtic Name: [(2S)-1-piperidin-1-ylpropan-2-yl] 4-chloranylbenzoate Openeye Name: [(1S)-1-methyl-2-(1-piperidyl)ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(2S)-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-piperidin-1-ylpropan-2-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S)-1-methyl-2-piperidino-ethyl] ester Formula: C15H20ClNO2 MolecularWeight: 281.7778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCC1)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@@H](CN1CCCCC1)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H20ClNO2/c1-12(11-17-9-3-2-4-10-17)19-15(18)13-5-7-14(16)8-6-13/h5-8,12H,2-4,9-11H2,1H3/t12-/m0/s1