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

Systemtic Name: 3-(4-butan-2-ylpiperazin-1-yl)carbonylbenzoic acid Openeye Name: 3-(4-sec-butylpiperazine-1-carbonyl)benzoic acid CAS Name: 3-[(4-butan-2-yl-1-piperazinyl)-oxomethyl]benzoic acid IUPAC Name: 3-(4-butan-2-ylpiperazine-1-carbonyl)benzoic acid Traditional Name: 3-(4-sec-butylpiperazine-1-carbonyl)benzoic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-3-12(2)17-7-9-18(10-8-17)15(19)13-5-4-6-14(11-13)16(20)21/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,21)