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

Systemtic Name: ethyl 3-[5-butoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[5-butoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoate CAS Name: 3-[5-butoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-butoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Traditional Name: 3-[5-butoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-3-5-14-28-19-6-7-21-20(15-19)18(8-11-24-13-10-23-17-24)16-25(21)12-9-22(26)27-4-2/h6-7,10,13,15,17-18H,3-5,8-9,11-12,14,16H2,1-2H3