3-(4-butan-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 3-(4-butan-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 3-(4-sec-butylpiperazin-1-yl)benzoic acid CAS Name: 3-(4-butan-2-yl-1-piperazinyl)benzoic acid IUPAC Name: 3-(4-butan-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 3-(4-sec-butylpiperazino)benzoic acid Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCC(C)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C15H22N2O2/c1-3-12(2)16-7-9-17(10-8-16)14-6-4-5-13(11-14)15(18)19/h4-6,11-12H,3,7-10H2,1-2H3,(H,18,19)