ethyl 4-[5-hexoxy-3-(3-imidazol-1-ylpropyl)-2,3-dihydroindol-1-yl]butanoate

Systemtic Name: ethyl 4-[5-hexoxy-3-(3-imidazol-1-ylpropyl)-2,3-dihydroindol-1-yl]butanoate Openeye Name: ethyl 4-[5-hexoxy-3-(3-imidazol-1-ylpropyl)indolin-1-yl]butanoate CAS Name: 4-[5-hexoxy-3-[3-(1-imidazolyl)propyl]-2,3-dihydroindol-1-yl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[5-hexoxy-3-(3-imidazol-1-ylpropyl)-2,3-dihydroindol-1-yl]butanoate Traditional Name: 4-[5-hexoxy-3-(3-imidazol-1-ylpropyl)indolin-1-yl]butyric acid ethyl ester Formula: C26H39N3O3 MolecularWeight: 441.60616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O3/c1-3-5-6-7-18-32-23-12-13-25-24(19-23)22(10-8-15-28-17-14-27-21-28)20-29(25)16-9-11-26(30)31-4-2/h12-14,17,19,21-22H,3-11,15-16,18,20H2,1-2H3