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

Systemtic Name: ethyl 3-[5-butyl-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[5-butyl-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoate CAS Name: 3-[5-butyl-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-butyl-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Traditional Name: 3-[5-butyl-3-(2-imidazol-1-ylethyl)indolin-1-yl]propionic acid ethyl ester Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

InChI

InChI=1S/C22H31N3O2/c1-3-5-6-18-7-8-21-20(15-18)19(9-12-24-14-11-23-17-24)16-25(21)13-10-22(26)27-4-2/h7-8,11,14-15,17,19H,3-6,9-10,12-13,16H2,1-2H3