ethyl (2S)-3-(4-hydroxyphenyl)-2-[3-(2-oxidanylphenoxy)propylamino]propanoate

Systemtic Name: ethyl (2S)-3-(4-hydroxyphenyl)-2-[3-(2-oxidanylphenoxy)propylamino]propanoate Openeye Name: ethyl (2S)-2-[3-(2-hydroxyphenoxy)propylamino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[3-(2-hydroxyphenoxy)propylamino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-(2-hydroxyphenoxy)propylamino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[3-(2-hydroxyphenoxy)propylamino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)O)NCCCOC2=CC=CC=C2O

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NCCCOC2=CC=CC=C2O

InChI

InChI=1S/C20H25NO5/c1-2-25-20(24)17(14-15-8-10-16(22)11-9-15)21-12-5-13-26-19-7-4-3-6-18(19)23/h3-4,6-11,17,21-23H,2,5,12-14H2,1H3/t17-/m0/s1