[1-(propan-2-ylamino)-3-(3-pyrrol-1-ylpyridin-2-yl)oxy-propan-2-yl] octanoate

Systemtic Name: [1-(propan-2-ylamino)-3-(3-pyrrol-1-ylpyridin-2-yl)oxy-propan-2-yl] octanoate Openeye Name: [1-[(isopropylamino)methyl]-2-[(3-pyrrol-1-yl-2-pyridyl)oxy]ethyl] octanoate CAS Name: octanoic acid [1-(propan-2-ylamino)-3-[[3-(1-pyrrolyl)-2-pyridinyl]oxy]propan-2-yl] ester IUPAC Name: [1-(propan-2-ylamino)-3-(3-pyrrol-1-ylpyridin-2-yl)oxypropan-2-yl] octanoate Traditional Name: caprylic acid [1-[(isopropylamino)methyl]-2-[(3-pyrrol-1-yl-2-pyridyl)oxy]ethyl] ester Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(CNC(C)C)COC1=C(C=CC=N1)N2C=CC=C2

Isomeric SMILES

CCCCCCCC(=O)OC(CNC(C)C)COC1=C(C=CC=N1)N2C=CC=C2

InChI

InChI=1S/C23H35N3O3/c1-4-5-6-7-8-13-22(27)29-20(17-25-19(2)3)18-28-23-21(12-11-14-24-23)26-15-9-10-16-26/h9-12,14-16,19-20,25H,4-8,13,17-18H2,1-3H3