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

Systemtic Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octyl-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octyl-indolin-1-yl]propanoate CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-5-octyl-2,3-dihydroindol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-octyl-2,3-dihydroindol-1-yl]propanoate Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-5-octyl-indolin-1-yl]propionic acid ethyl ester Formula: C26H39N3O2 MolecularWeight: 425.60676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

InChI

InChI=1S/C26H39N3O2/c1-3-5-6-7-8-9-10-22-11-12-25-24(19-22)23(13-16-28-18-15-27-21-28)20-29(25)17-14-26(30)31-4-2/h11-12,15,18-19,21,23H,3-10,13-14,16-17,20H2,1-2H3