4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[1-(4-isopropylphenyl)ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[1-(4-propan-2-ylphenyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(1-p-cumenylethyl)piperazino]benzoic acid Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H28N2O2/c1-16(2)18-4-6-19(7-5-18)17(3)23-12-14-24(15-13-23)21-10-8-20(9-11-21)22(25)26/h4-11,16-17H,12-15H2,1-3H3,(H,25,26)