2-[2-(4-butylpiperazin-1-yl)carbonylphenyl]benzoic acid

Systemtic Name: 2-[2-(4-butylpiperazin-1-yl)carbonylphenyl]benzoic acid Openeye Name: 2-[2-(4-butylpiperazine-1-carbonyl)phenyl]benzoic acid CAS Name: 2-[2-[(4-butyl-1-piperazinyl)-oxomethyl]phenyl]benzoic acid IUPAC Name: 2-[2-(4-butylpiperazine-1-carbonyl)phenyl]benzoic acid Traditional Name: 2-[2-(4-butylpiperazine-1-carbonyl)phenyl]benzoic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCN1CCN(CC1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H26N2O3/c1-2-3-12-23-13-15-24(16-14-23)21(25)19-10-6-4-8-17(19)18-9-5-7-11-20(18)22(26)27/h4-11H,2-3,12-16H2,1H3,(H,26,27)