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

Systemtic Name: ethyl 2-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]ethanoate Openeye Name: ethyl 2-[5-decoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetate CAS Name: 2-[5-decoxy-3-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-decoxy-3-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-yl]acetate Traditional Name: 2-[5-decoxy-3-(2-imidazol-1-ylethyl)indolin-1-yl]acetic acid ethyl ester Formula: C27H41N3O3 MolecularWeight: 455.63274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C1)N(CC2CCN3C=CN=C3)CC(=O)OCC

InChI

InChI=1S/C27H41N3O3/c1-3-5-6-7-8-9-10-11-18-33-24-12-13-26-25(19-24)23(14-16-29-17-15-28-22-29)20-30(26)21-27(31)32-4-2/h12-13,15,17,19,22-23H,3-11,14,16,18,20-21H2,1-2H3