5-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[4-[1-(4-cyclohexylphenyl)ethyl]-1-piperazinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-[1-(4-cyclohexylphenyl)ethyl]piperazin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[4-[1-(4-cyclohexylphenyl)ethyl]piperazino]-2-hydroxy-benzoic acid Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CCCCC2)N3CCN(CC3)C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C2CCCCC2)N3CCN(CC3)C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H32N2O3/c1-18(19-7-9-21(10-8-19)20-5-3-2-4-6-20)26-13-15-27(16-14-26)22-11-12-24(28)23(17-22)25(29)30/h7-12,17-18,20,28H,2-6,13-16H2,1H3,(H,29,30)