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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1)C(CC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)O

InChI

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