[1-(3-ethylsulfinylpyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] undecanoate

Systemtic Name: [1-(3-ethylsulfinylpyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] undecanoate Openeye Name: [1-[(3-ethylsulfinyl-2-pyridyl)oxymethyl]-2-(isopropylamino)ethyl] undecanoate CAS Name: undecanoic acid [1-[(3-ethylsulfinyl-2-pyridinyl)oxy]-3-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-(3-ethylsulfinylpyridin-2-yl)oxy-3-(propan-2-ylamino)propan-2-yl] undecanoate Traditional Name: undecanoic acid [1-[(3-ethylsulfinyl-2-pyridyl)oxymethyl]-2-(isopropylamino)ethyl] ester Formula: C24H42N2O4S MolecularWeight: 454.66628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC(CNC(C)C)COC1=C(C=CC=N1)S(=O)CC

Isomeric SMILES

CCCCCCCCCCC(=O)OC(CNC(C)C)COC1=C(C=CC=N1)S(=O)CC

InChI

InChI=1S/C24H42N2O4S/c1-5-7-8-9-10-11-12-13-16-23(27)30-21(18-26-20(3)4)19-29-24-22(31(28)6-2)15-14-17-25-24/h14-15,17,20-21,26H,5-13,16,18-19H2,1-4H3