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

Systemtic Name: 5-[2-[4-(2-butoxyphenyl)piperazin-1-yl]-1-oxidanyl-ethyl]-2-ethoxy-benzoic acid Openeye Name: 5-[2-[4-(2-butoxyphenyl)piperazin-1-yl]-1-hydroxy-ethyl]-2-ethoxy-benzoic acid CAS Name: 5-[2-[4-(2-butoxyphenyl)-1-piperazinyl]-1-hydroxyethyl]-2-ethoxybenzoic acid IUPAC Name: 5-[2-[4-(2-butoxyphenyl)piperazin-1-yl]-1-hydroxyethyl]-2-ethoxybenzoic acid Traditional Name: 5-[2-[4-(2-butoxyphenyl)piperazino]-1-hydroxy-ethyl]-2-ethoxy-benzoic acid Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2CCN(CC2)CC(C3=CC(=C(C=C3)OCC)C(=O)O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1N2CCN(CC2)CC(C3=CC(=C(C=C3)OCC)C(=O)O)O

InChI

InChI=1S/C25H34N2O5/c1-3-5-16-32-24-9-7-6-8-21(24)27-14-12-26(13-15-27)18-22(28)19-10-11-23(31-4-2)20(17-19)25(29)30/h6-11,17,22,28H,3-5,12-16,18H2,1-2H3,(H,29,30)