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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1)C2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-3-4-7-14-12-18(10-9-17-14)15-8-5-6-13(11-15)16(19)20-2/h5-6,8,11,14,17H,3-4,7,9-10,12H2,1-2H3/t14-/m0/s1