3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Openeye Name: 3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid CAS Name: 3-[4-[1-(4-phenoxyphenyl)ethyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]benzoic acid Traditional Name: 3-[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=CC(=C4)C(=O)O

Isomeric SMILES

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

InChI

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