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

Systemtic Name: (Z)-3-[2-[2-oxidanyl-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]but-2-enoic acid Openeye Name: (Z)-3-[2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]but-2-enoic acid CAS Name: (Z)-3-[2-[2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-2-butenoic acid IUPAC Name: (Z)-3-[2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]but-2-enoic acid Traditional Name: (Z)-3-[2-[2-hydroxy-3-(4-phenylpiperazino)propoxy]phenyl]but-2-enoic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

C/C(=C/C(=O)O)/C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C23H28N2O4/c1-18(15-23(27)28)21-9-5-6-10-22(21)29-17-20(26)16-24-11-13-25(14-12-24)19-7-3-2-4-8-19/h2-10,15,20,26H,11-14,16-17H2,1H3,(H,27,28)/b18-15-