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

Systemtic Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[1-(4-phenoxyphenyl)ethyl]piperazino]benzoic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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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)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O3/c1-19(20-9-13-24(14-10-20)30-23-5-3-2-4-6-23)26-15-17-27(18-16-26)22-11-7-21(8-12-22)25(28)29/h2-14,19H,15-18H2,1H3,(H,28,29)