2-[1,3-benzodioxol-5-yl-(2-fluoranyl-4-methyl-phenyl)methyl]cyclohexa-1,3-dien-1-amine

Systemtic Name: 2-[1,3-benzodioxol-5-yl-(2-fluoranyl-4-methyl-phenyl)methyl]cyclohexa-1,3-dien-1-amine Openeye Name: 2-[1,3-benzodioxol-5-yl-(2-fluoro-4-methyl-phenyl)methyl]cyclohexa-1,3-dien-1-amine CAS Name: 2-[1,3-benzodioxol-5-yl-(2-fluoro-4-methylphenyl)methyl]-1-cyclohexa-1,3-dienamine IUPAC Name: 2-[1,3-benzodioxol-5-yl-(2-fluoro-4-methylphenyl)methyl]cyclohexa-1,3-dien-1-amine Traditional Name: [2-[1,3-benzodioxol-5-yl-(2-fluoro-4-methyl-phenyl)methyl]cyclohexa-1,3-dien-1-yl]amine Formula: C21H20FNO2 MolecularWeight: 337.387403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C4=C(CCC=C4)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC3=C(C=C2)OCO3)C4=C(CCC=C4)N)F

InChI

InChI=1S/C21H20FNO2/c1-13-6-8-15(17(22)10-13)21(16-4-2-3-5-18(16)23)14-7-9-19-20(11-14)25-12-24-19/h2,4,6-11,21H,3,5,12,23H2,1H3