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

Systemtic Name: ethyl 2-[3-(2-imidazol-1-ylethyl)-5-octyl-2,3-dihydroindol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(2-imidazol-1-ylethyl)-5-octyl-indolin-1-yl]acetate CAS Name: 2-[3-[2-(1-imidazolyl)ethyl]-5-octyl-2,3-dihydroindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-imidazol-1-ylethyl)-5-octyl-2,3-dihydroindol-1-yl]acetate Traditional Name: 2-[3-(2-imidazol-1-ylethyl)-5-octyl-indolin-1-yl]acetic acid ethyl ester Formula: C25H37N3O2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O2/c1-3-5-6-7-8-9-10-21-11-12-24-23(17-21)22(13-15-27-16-14-26-20-27)18-28(24)19-25(29)30-4-2/h11-12,14,16-17,20,22H,3-10,13,15,18-19H2,1-2H3