3-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid

Systemtic Name: 3-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Openeye Name: 3-[5-dodecoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoic acid CAS Name: 3-[5-dodecoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid IUPAC Name: 3-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-5-lauryloxy-indolin-1-yl]propionic acid Formula: C28H43N3O3 MolecularWeight: 469.65932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C28H43N3O3/c1-2-3-4-5-6-7-8-9-10-11-20-34-25-12-13-27-26(21-25)24(14-17-30-19-16-29-23-30)22-31(27)18-15-28(32)33/h12-13,16,19,21,23-24H,2-11,14-15,17-18,20,22H2,1H3,(H,32,33)