N-[2-[(2R,3S)-3-acetamido-2-[3,4-bis(oxidanyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]ethanamide

Systemtic Name: N-[2-[(2R,3S)-3-acetamido-2-[3,4-bis(oxidanyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]ethanamide Openeye Name: N-[2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]acetamide CAS Name: N-[2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]acetamide IUPAC Name: N-[2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]acetamide Traditional Name: N-[2-[(2R,3S)-3-acetamido-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]acetamide Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC2=C(C=C1)OC(C(O2)NC(=O)C)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CC(=O)NCCC1=CC2=C(C=C1)O[C@@H]([C@H](O2)NC(=O)C)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C20H22N2O6/c1-11(23)21-8-7-13-3-6-17-18(9-13)28-20(22-12(2)24)19(27-17)14-4-5-15(25)16(26)10-14/h3-6,9-10,19-20,25-26H,7-8H2,1-2H3,(H,21,23)(H,22,24)/t19-,20+/m1/s1