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

Systemtic Name: 3-[5-hexoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Openeye Name: 3-[5-hexoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoic acid CAS Name: 3-[5-hexoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid IUPAC Name: 3-[5-hexoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoic acid Traditional Name: 3-[5-hexoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C22H31N3O3/c1-2-3-4-5-14-28-19-6-7-21-20(15-19)18(8-11-24-13-10-23-17-24)16-25(21)12-9-22(26)27/h6-7,10,13,15,17-18H,2-5,8-9,11-12,14,16H2,1H3,(H,26,27)