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

Systemtic Name: methyl 3-[[(3S)-3-butylpiperazin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[(3S)-3-butylpiperazin-1-yl]methyl]benzoate CAS Name: 3-[[(3S)-3-butyl-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3S)-3-butylpiperazin-1-yl]methyl]benzoate Traditional Name: 3-[[(3S)-3-butylpiperazino]methyl]benzoic acid methyl ester Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1)CC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-3-4-8-16-13-19(10-9-18-16)12-14-6-5-7-15(11-14)17(20)21-2/h5-7,11,16,18H,3-4,8-10,12-13H2,1-2H3/t16-/m0/s1