methyl 4-[[(3S)-3-(2-methylpropyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3S)-3-(2-methylpropyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3S)-3-isobutylpiperazin-1-yl]methyl]benzoate CAS Name: 4-[[(3S)-3-(2-methylpropyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3S)-3-(2-methylpropyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[(3S)-3-isobutylpiperazino]methyl]benzoic acid methyl ester Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-13(2)10-16-12-19(9-8-18-16)11-14-4-6-15(7-5-14)17(20)21-3/h4-7,13,16,18H,8-12H2,1-3H3/t16-/m0/s1