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

Systemtic Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-indolin-1-yl]propanoate CAS Name: 3-[3-[2-(1-imidazolyl)ethyl]-5-nonoxy-2,3-dihydroindol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-2,3-dihydroindol-1-yl]propanoate Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-5-nonoxy-indolin-1-yl]propionic acid ethyl ester Formula: C27H41N3O3 MolecularWeight: 455.63274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

Isomeric SMILES

CCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

InChI

InChI=1S/C27H41N3O3/c1-3-5-6-7-8-9-10-19-33-24-11-12-26-25(20-24)23(13-16-29-18-15-28-22-29)21-30(26)17-14-27(31)32-4-2/h11-12,15,18,20,22-23H,3-10,13-14,16-17,19,21H2,1-2H3