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

Systemtic Name: 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[4-[1-(2,4-dimethylphenyl)ethyl]-1-piperazinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazino]-2-hydroxy-benzoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)N2CCN(CC2)C3=CC(=C(C=C3)O)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)N2CCN(CC2)C3=CC(=C(C=C3)O)C(=O)O)C

InChI

InChI=1S/C21H26N2O3/c1-14-4-6-18(15(2)12-14)16(3)22-8-10-23(11-9-22)17-5-7-20(24)19(13-17)21(25)26/h4-7,12-13,16,24H,8-11H2,1-3H3,(H,25,26)