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

Systemtic Name: ethyl 2-[5-butyl-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]ethanoate Openeye Name: ethyl 2-[5-butyl-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetate CAS Name: 2-[5-butyl-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-butyl-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]acetate Traditional Name: 2-[5-butyl-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid ethyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-3-5-6-17-7-8-20-19(13-17)18(9-11-23-12-10-22-16-23)14-24(20)15-21(25)26-4-2/h7-8,10,12-13,16,18H,3-6,9,11,14-15H2,1-2H3