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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC=C(C=C3)N)O

Isomeric SMILES

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC=C(C=C3)N)O

InChI

InChI=1S/C20H25N3O4/c1-14(24)19(27-16-8-6-15(21)7-9-16)23-12-10-22(11-13-23)18-5-3-2-4-17(18)20(25)26/h2-9,14,19,24H,10-13,21H2,1H3,(H,25,26)