ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-yl]propanoate

Systemtic Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-indolin-1-yl]propanoate CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-5-octoxy-2,3-dihydroindol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-2,3-dihydroindol-1-yl]propanoate Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-5-octoxy-indolin-1-yl]propionic acid ethyl ester Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

InChI

InChI=1S/C26H39N3O3/c1-3-5-6-7-8-9-18-32-23-10-11-25-24(19-23)22(12-15-28-17-14-27-21-28)20-29(25)16-13-26(30)31-4-2/h10-11,14,17,19,21-22H,3-9,12-13,15-16,18,20H2,1-2H3