[(2R)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [(2R)-1-(1-ethanoyl-2,3-dihydroindol-5-yl)-1-oxidanylidene-propan-2-yl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [(1R)-2-(1-acetylindolin-5-yl)-1-methyl-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [(1R)-2-(1-acetylindolin-5-yl)-2-keto-1-methyl-ethyl] ester Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)O[C@H](C)C(=O)C2=CC3=C(C=C2)N(CC3)C(=O)C)OCC

InChI

InChI=1S/C25H29NO6/c1-5-13-31-22-10-8-20(15-23(22)30-6-2)25(29)32-16(3)24(28)19-7-9-21-18(14-19)11-12-26(21)17(4)27/h7-10,14-16H,5-6,11-13H2,1-4H3/t16-/m1/s1