2-[[(3S)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[(3S)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid Openeye Name: 2-[[(3S)-3-isopropylpiperazin-1-yl]methyl]benzoic acid CAS Name: 2-[[(3S)-3-propan-2-yl-1-piperazinyl]methyl]benzoic acid IUPAC Name: 2-[[(3S)-3-propan-2-ylpiperazin-1-yl]methyl]benzoic acid Traditional Name: 2-[[(3S)-3-isopropylpiperazino]methyl]benzoic acid Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CN(CCN1)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)[C@H]1CN(CCN1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H22N2O2/c1-11(2)14-10-17(8-7-16-14)9-12-5-3-4-6-13(12)15(18)19/h3-6,11,14,16H,7-10H2,1-2H3,(H,18,19)/t14-/m1/s1