5-(aminomethyl)-3-(1-benzofuran-2-yl)-2-(6-ethoxyhexyl)-4,6-bis(hydroxymethyl)phenol

Systemtic Name: 5-(aminomethyl)-3-(1-benzofuran-2-yl)-2-(6-ethoxyhexyl)-4,6-bis(hydroxymethyl)phenol Openeye Name: 5-(aminomethyl)-3-(benzofuran-2-yl)-2-(6-ethoxyhexyl)-4,6-bis(hydroxymethyl)phenol CAS Name: 5-(aminomethyl)-3-(2-benzofuranyl)-2-(6-ethoxyhexyl)-4,6-bis(hydroxymethyl)phenol IUPAC Name: 5-(aminomethyl)-3-(1-benzofuran-2-yl)-2-(6-ethoxyhexyl)-4,6-bis(hydroxymethyl)phenol Traditional Name: 5-(aminomethyl)-3-(benzofuran-2-yl)-2-(6-ethoxyhexyl)-4,6-dimethylol-phenol Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCCCC1=C(C(=C(C(=C1C2=CC3=CC=CC=C3O2)CO)CN)CO)O

Isomeric SMILES

CCOCCCCCCC1=C(C(=C(C(=C1C2=CC3=CC=CC=C3O2)CO)CN)CO)O

InChI

InChI=1S/C25H33NO5/c1-2-30-12-8-4-3-5-10-18-24(23-13-17-9-6-7-11-22(17)31-23)20(15-27)19(14-26)21(16-28)25(18)29/h6-7,9,11,13,27-29H,2-5,8,10,12,14-16,26H2,1H3