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

Systemtic Name: ethyl 2-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]ethanoate Openeye Name: ethyl 2-[5-dodecoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetate CAS Name: 2-[5-dodecoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-dodecoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]acetate Traditional Name: 2-[3-(2-imidazol-1-ylethyl)-5-lauryloxy-indolin-1-yl]acetic acid ethyl ester Formula: C29H45N3O3 MolecularWeight: 483.6859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45N3O3/c1-3-5-6-7-8-9-10-11-12-13-20-35-26-14-15-28-27(21-26)25(16-18-31-19-17-30-24-31)22-32(28)23-29(33)34-4-2/h14-15,17,19,21,24-25H,3-13,16,18,20,22-23H2,1-2H3