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

Systemtic Name: methyl 4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]benzoate Openeye Name: methyl 4-[(3S)-3-isobutylpiperazin-1-yl]benzoate CAS Name: 4-[(3S)-3-(2-methylpropyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-(2-methylpropyl)piperazin-1-yl]benzoate Traditional Name: 4-[(3S)-3-isobutylpiperazino]benzoic acid methyl ester Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-12(2)10-14-11-18(9-8-17-14)15-6-4-13(5-7-15)16(19)20-3/h4-7,12,14,17H,8-11H2,1-3H3/t14-/m0/s1