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

Systemtic Name: 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-2,3-dihydroindol-1-yl]propanoic acid Openeye Name: 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-indolin-1-yl]propanoic acid CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-5-nonoxy-2,3-dihydroindol-1-yl]propanoic acid IUPAC Name: 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-2,3-dihydroindol-1-yl]propanoic acid Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-indolin-1-yl]propionic acid Formula: C25H37N3O3 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

Isomeric SMILES

CCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)O

InChI

InChI=1S/C25H37N3O3/c1-2-3-4-5-6-7-8-17-31-22-9-10-24-23(18-22)21(11-14-27-16-13-26-20-27)19-28(24)15-12-25(29)30/h9-10,13,16,18,20-21H,2-8,11-12,14-15,17,19H2,1H3,(H,29,30)