3-[4-[3-(4-ethoxycarbonylpiperidin-1-yl)-4-nitro-phenoxy]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-ethoxycarbonylpiperidin-1-yl)-4-nitro-phenoxy]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-ethoxycarbonyl-1-piperidyl)-4-nitro-phenoxy]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-ethoxycarbonyl-1-piperidinyl)-4-nitrophenoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-ethoxycarbonylpiperidin-1-yl)-4-nitrophenoxy]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-carbethoxypiperidino)-4-nitro-phenoxy]phenyl]propionic acid Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O7/c1-2-31-23(28)17-11-13-24(14-12-17)21-15-19(8-9-20(21)25(29)30)32-18-6-3-16(4-7-18)5-10-22(26)27/h3-4,6-9,15,17H,2,5,10-14H2,1H3,(H,26,27)