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

Systemtic Name: 2-oxidanyl-5-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 2-hydroxy-5-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid CAS Name: 2-hydroxy-5-[4-[1-(4-phenoxyphenyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-hydroxy-5-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 2-hydroxy-5-[4-[1-(4-phenoxyphenyl)ethyl]piperazino]benzoic acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCN(CC3)C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C25H26N2O4/c1-18(19-7-10-22(11-8-19)31-21-5-3-2-4-6-21)26-13-15-27(16-14-26)20-9-12-24(28)23(17-20)25(29)30/h2-12,17-18,28H,13-16H2,1H3,(H,29,30)