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

Systemtic Name: ethyl 3-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Openeye Name: ethyl 3-[5-dodecoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]propanoate CAS Name: 3-[5-dodecoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]propanoate Traditional Name: 3-[3-(2-imidazol-1-ylethyl)-5-lauryloxy-indolin-1-yl]propionic acid ethyl ester Formula: C30H47N3O3 MolecularWeight: 497.71248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CCC(=O)OCC

InChI

InChI=1S/C30H47N3O3/c1-3-5-6-7-8-9-10-11-12-13-22-36-27-14-15-29-28(23-27)26(16-19-32-21-18-31-25-32)24-33(29)20-17-30(34)35-4-2/h14-15,18,21,23,25-26H,3-13,16-17,19-20,22,24H2,1-2H3