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

Systemtic Name: ethyl 3-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[5-decoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoate CAS Name: 3-[5-decoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Traditional Name: 3-[5-decoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid ethyl ester Formula: C28H43N3O3 MolecularWeight: 469.65932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

InChI

InChI=1S/C28H43N3O3/c1-3-5-6-7-8-9-10-11-20-34-25-12-13-27-26(21-25)24(14-17-30-19-16-29-23-30)22-31(27)18-15-28(32)33-4-2/h12-13,16,19,21,23-24H,3-11,14-15,17-18,20,22H2,1-2H3