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

Systemtic Name: 3-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]propanoic acid Openeye Name: 3-[4-[4-nitro-3-(4-propyl-1-piperidyl)phenoxy]phenyl]propanoic acid CAS Name: 3-[4-[4-nitro-3-(4-propyl-1-piperidinyl)phenoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[4-nitro-3-(4-propylpiperidin-1-yl)phenoxy]phenyl]propanoic acid Traditional Name: 3-[4-[4-nitro-3-(4-propylpiperidino)phenoxy]phenyl]propionic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCC1CCN(CC1)C2=C(C=CC(=C2)OC3=CC=C(C=C3)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H28N2O5/c1-2-3-17-12-14-24(15-13-17)22-16-20(9-10-21(22)25(28)29)30-19-7-4-18(5-8-19)6-11-23(26)27/h4-5,7-10,16-17H,2-3,6,11-15H2,1H3,(H,26,27)