2-(2H-1,3-benzoxazol-3-ylmethyl)-5-[(cyclohexylamino)methyl]benzene-1,4-diol chloride

Systemtic Name: 2-(2H-1,3-benzoxazol-3-ylmethyl)-5-[(cyclohexylamino)methyl]benzene-1,4-diol chloride Openeye Name: 2-(2H-1,3-benzoxazol-3-ylmethyl)-5-[(cyclohexylamino)methyl]benzene-1,4-diol chloride CAS Name: 2-(2H-1,3-benzoxazol-3-ylmethyl)-5-[(cyclohexylamino)methyl]benzene-1,4-diol chloride IUPAC Name: 2-(2H-1,3-benzoxazol-3-ylmethyl)-5-[(cyclohexylamino)methyl]benzene-1,4-diol chloride Traditional Name: 2-(2H-1,3-benzoxazol-3-ylmethyl)-5-[(cyclohexylamino)methyl]hydroquinone chloride Formula: C21H26ClN2O3- MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC2=C(C=C(C(=C2)O)CN3COC4=CC=CC=C43)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)NCC2=C(C=C(C(=C2)O)CN3COC4=CC=CC=C43)O.[Cl-]

InChI

InChI=1S/C21H26N2O3.ClH/c24-19-11-16(13-23-14-26-21-9-5-4-8-18(21)23)20(25)10-15(19)12-22-17-6-2-1-3-7-17;/h4-5,8-11,17,22,24-25H,1-3,6-7,12-14H2;1H/p-1