2-[4-[3-(4-azanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[3-(4-azanylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[3-(4-aminophenoxy)-2-hydroxy-propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[3-(4-aminophenoxy)-2-hydroxypropyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[3-(4-aminophenoxy)-2-hydroxypropyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[3-(4-aminophenoxy)-2-hydroxy-propyl]piperazino]benzoic acid Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)N)O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=C(C=C2)N)O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H25N3O4/c21-15-5-7-17(8-6-15)27-14-16(24)13-22-9-11-23(12-10-22)19-4-2-1-3-18(19)20(25)26/h1-8,16,24H,9-14,21H2,(H,25,26)