ethyl 2-[3-(2-imidazol-1-ylethyl)-7-nonoxy-2,3-dihydroindol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(2-imidazol-1-ylethyl)-7-nonoxy-2,3-dihydroindol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(2-imidazol-1-ylethyl)-7-nonoxy-indolin-1-yl]acetate CAS Name: 2-[3-[2-(1-imidazolyl)ethyl]-7-nonoxy-2,3-dihydroindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-imidazol-1-ylethyl)-7-nonoxy-2,3-dihydroindol-1-yl]acetate Traditional Name: 2-[3-(2-imidazol-1-ylethyl)-7-nonoxy-indolin-1-yl]acetic acid ethyl ester Formula: C26H39N3O3 MolecularWeight: 441.60616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC2=C1N(CC2CCN3C=CN=C3)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCOC1=CC=CC2=C1N(CC2CCN3C=CN=C3)CC(=O)OCC

InChI

InChI=1S/C26H39N3O3/c1-3-5-6-7-8-9-10-18-32-24-13-11-12-23-22(14-16-28-17-15-27-21-28)19-29(26(23)24)20-25(30)31-4-2/h11-13,15,17,21-22H,3-10,14,16,18-20H2,1-2H3