(Z)-3-[4-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]but-2-enoic acid

Systemtic Name: (Z)-3-[4-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]but-2-enoic acid Openeye Name: (Z)-3-[4-[2-hydroxy-3-[4-(2-pyridyl)piperazin-1-yl]propoxy]phenyl]but-2-enoic acid CAS Name: (Z)-3-[4-[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]phenyl]-2-butenoic acid IUPAC Name: (Z)-3-[4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]but-2-enoic acid Traditional Name: (Z)-3-[4-[2-hydroxy-3-[4-(2-pyridyl)piperazino]propoxy]phenyl]but-2-enoic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O

Isomeric SMILES

C/C(=C/C(=O)O)/C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O

InChI

InChI=1S/C22H27N3O4/c1-17(14-22(27)28)18-5-7-20(8-6-18)29-16-19(26)15-24-10-12-25(13-11-24)21-4-2-3-9-23-21/h2-9,14,19,26H,10-13,15-16H2,1H3,(H,27,28)/b17-14-