1-[5-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-butyl]-2-oxidanyl-phenyl]ethane-1,2-diol

Systemtic Name: 1-[5-[2-azanyl-4-(1,3-benzodioxol-5-yl)-3-methyl-butyl]-2-oxidanyl-phenyl]ethane-1,2-diol Openeye Name: 1-[5-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-butyl]-2-hydroxy-phenyl]ethane-1,2-diol CAS Name: 1-[5-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylbutyl]-2-hydroxyphenyl]ethane-1,2-diol IUPAC Name: 1-[5-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methylbutyl]-2-hydroxyphenyl]ethane-1,2-diol Traditional Name: 1-[5-[2-amino-4-(1,3-benzodioxol-5-yl)-3-methyl-butyl]-2-hydroxy-phenyl]ethane-1,2-diol Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)C(CC3=CC(=C(C=C3)O)C(CO)O)N

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OCO2)C(CC3=CC(=C(C=C3)O)C(CO)O)N

InChI

InChI=1S/C20H25NO5/c1-12(6-13-3-5-19-20(9-13)26-11-25-19)16(21)8-14-2-4-17(23)15(7-14)18(24)10-22/h2-5,7,9,12,16,18,22-24H,6,8,10-11,21H2,1H3