2-methoxy-3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]propanoic acid

Systemtic Name: 2-methoxy-3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]phenyl]propanoic acid Openeye Name: 2-methoxy-3-[4-[2-oxo-2-[4-(p-tolyl)piperazin-1-yl]ethoxy]phenyl]propanoic acid CAS Name: 2-methoxy-3-[4-[2-[4-(4-methylphenyl)-1-piperazinyl]-2-oxoethoxy]phenyl]propanoic acid IUPAC Name: 2-methoxy-3-[4-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethoxy]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-2-[4-(p-tolyl)piperazino]ethoxy]phenyl]-2-methoxy-propionic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)CC(C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)CC(C(=O)O)OC

InChI

InChI=1S/C23H28N2O5/c1-17-3-7-19(8-4-17)24-11-13-25(14-12-24)22(26)16-30-20-9-5-18(6-10-20)15-21(29-2)23(27)28/h3-10,21H,11-16H2,1-2H3,(H,27,28)