methyl 3-[[(3S)-3-propylpiperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[(3S)-3-propylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[(3S)-3-propylpiperazin-1-yl]methyl]benzoate CAS Name: 3-[[(3S)-3-propyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-3-propylpiperazin-1-yl]methyl]benzoate Traditional Name: 3-[[(3S)-3-propylpiperazino]methyl]benzoic acid methyl ester Formula: C16H24N2O2 MolecularWeight: 276.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(CCN1)CC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCC[C@H]1CN(CCN1)CC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H24N2O2/c1-3-5-15-12-18(9-8-17-15)11-13-6-4-7-14(10-13)16(19)20-2/h4,6-7,10,15,17H,3,5,8-9,11-12H2,1-2H3/t15-/m0/s1