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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC=CC4=C3C=CN4)O

Isomeric SMILES

CC(C(N1CCN(CC1)C2=CC=CC=C2C(=O)O)OC3=CC=CC4=C3C=CN4)O

InChI

InChI=1S/C22H25N3O4/c1-15(26)21(29-20-8-4-6-18-16(20)9-10-23-18)25-13-11-24(12-14-25)19-7-3-2-5-17(19)22(27)28/h2-10,15,21,23,26H,11-14H2,1H3,(H,27,28)