ethyl 3-[5-hexoxy-3-(3-imidazol-1-ylpropyl)-2,3-dihydroindol-1-yl]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)N(CC2CCCN3C=CN=C3)CCC(=O)OCC

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)N(CC2CCCN3C=CN=C3)CCC(=O)OCC

InChI

InChI=1S/C25H37N3O3/c1-3-5-6-7-17-31-22-10-11-24-23(18-22)21(9-8-14-27-16-13-26-20-27)19-28(24)15-12-25(29)30-4-2/h10-11,13,16,18,20-21H,3-9,12,14-15,17,19H2,1-2H3