4-[4-(3-oxidanyl-4-phenoxy-butyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(3-oxidanyl-4-phenoxy-butyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(3-hydroxy-4-phenoxy-butyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(3-hydroxy-4-phenoxybutyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(3-hydroxy-4-phenoxybutyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(3-hydroxy-4-phenoxy-butyl)piperazino]benzoic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H26N2O4/c24-19(16-27-20-4-2-1-3-5-20)10-11-22-12-14-23(15-13-22)18-8-6-17(7-9-18)21(25)26/h1-9,19,24H,10-16H2,(H,25,26)