4-[(3S)-3-ethylpiperazin-1-yl]benzoic acid

Systemtic Name: 4-[(3S)-3-ethylpiperazin-1-yl]benzoic acid Openeye Name: 4-[(3S)-3-ethylpiperazin-1-yl]benzoic acid CAS Name: 4-[(3S)-3-ethyl-1-piperazinyl]benzoic acid IUPAC Name: 4-[(3S)-3-ethylpiperazin-1-yl]benzoic acid Traditional Name: 4-[(3S)-3-ethylpiperazino]benzoic acid Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2/c1-2-11-9-15(8-7-14-11)12-5-3-10(4-6-12)13(16)17/h3-6,11,14H,2,7-9H2,1H3,(H,16,17)/t11-/m0/s1