5-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-2-oxidanyl-benzoic acid Openeye Name: 5-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-2-hydroxy-benzoic acid CAS Name: 5-[4-[1-(3,4-dimethoxyphenyl)ethyl]-1-piperazinyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-2-hydroxybenzoic acid Traditional Name: 5-[4-[1-(3,4-dimethoxyphenyl)ethyl]piperazino]-2-hydroxy-benzoic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-14(15-4-7-19(27-2)20(12-15)28-3)22-8-10-23(11-9-22)16-5-6-18(24)17(13-16)21(25)26/h4-7,12-14,24H,8-11H2,1-3H3,(H,25,26)