2-[2-(2-butoxy-2-oxidanylidene-ethoxy)-5-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-(2-butoxy-2-oxidanylidene-ethoxy)-5-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]phenoxy]ethanoic acid Openeye Name: 2-[2-(2-butoxy-2-oxo-ethoxy)-5-[3-[4-(4-pyridyl)piperazin-1-yl]propanoyl]phenoxy]acetic acid CAS Name: 2-[2-(2-butoxy-2-oxoethoxy)-5-[1-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]phenoxy]acetic acid IUPAC Name: 2-[2-(2-butoxy-2-oxoethoxy)-5-[3-(4-pyridin-4-ylpiperazin-1-yl)propanoyl]phenoxy]acetic acid Traditional Name: 2-[2-(2-butoxy-2-keto-ethoxy)-5-[3-[4-(4-pyridyl)piperazino]propanoyl]phenoxy]acetic acid Formula: C26H33N3O7 MolecularWeight: 499.55612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)COC1=C(C=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=NC=C3)OCC(=O)O

Isomeric SMILES

CCCCOC(=O)COC1=C(C=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=NC=C3)OCC(=O)O

InChI

InChI=1S/C26H33N3O7/c1-2-3-16-34-26(33)19-36-23-5-4-20(17-24(23)35-18-25(31)32)22(30)8-11-28-12-14-29(15-13-28)21-6-9-27-10-7-21/h4-7,9-10,17H,2-3,8,11-16,18-19H2,1H3,(H,31,32)