1-[4-[(2R)-3-[[(2S)-2-ethylhexyl]amino]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[(2R)-3-[[(2S)-2-ethylhexyl]amino]-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[(2R)-3-[[(2S)-2-ethylhexyl]amino]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2R)-3-[[(2S)-2-ethylhexyl]amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2R)-3-[[(2S)-2-ethylhexyl]amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2R)-3-[[(2S)-2-ethylhexyl]amino]-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C20H33NO4 MolecularWeight: 351.48032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNCC(COC1=C(C=C(C=C1)C(=O)C)OC)O

Isomeric SMILES

CCCC[C@H](CC)CNC[C@H](COC1=C(C=C(C=C1)C(=O)C)OC)O

InChI

InChI=1S/C20H33NO4/c1-5-7-8-16(6-2)12-21-13-18(23)14-25-19-10-9-17(15(3)22)11-20(19)24-4/h9-11,16,18,21,23H,5-8,12-14H2,1-4H3/t16-,18+/m0/s1