2-[4-[3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid

Systemtic Name: 2-[4-[3-(1H-indol-4-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]benzoic acid Openeye Name: 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid CAS Name: 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazin-1-yl]benzoic acid Traditional Name: 2-[4-[2-hydroxy-3-(1H-indol-4-yloxy)propyl]piperazino]benzoic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=CC3=C2C=CN3)O)C4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1CC(COC2=CC=CC3=C2C=CN3)O)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H25N3O4/c26-16(15-29-21-7-3-5-19-17(21)8-9-23-19)14-24-10-12-25(13-11-24)20-6-2-1-4-18(20)22(27)28/h1-9,16,23,26H,10-15H2,(H,27,28)