1-(1,3-benzodioxol-5-yl)butan-1-amine; 2-(4-fluorophenyl)-3-methyl-butanoic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)butan-1-amine; 2-(4-fluorophenyl)-3-methyl-butanoic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)butan-1-amine; 2-(4-fluorophenyl)-3-methyl-butanoic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-1-butanamine; 2-(4-fluorophenyl)-3-methylbutanoic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)butan-1-amine; 2-(4-fluorophenyl)-3-methylbutanoic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)butylamine; 2-(4-fluorophenyl)-3-methyl-butyric acid Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)OCO2)N.CC(C)C(C1=CC=C(C=C1)F)C(=O)O

Isomeric SMILES

CCCC(C1=CC2=C(C=C1)OCO2)N.CC(C)C(C1=CC=C(C=C1)F)C(=O)O

InChI

InChI=1S/C11H13FO2.C11H15NO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8;1-2-3-9(12)8-4-5-10-11(6-8)14-7-13-10/h3-7,10H,1-2H3,(H,13,14);4-6,9H,2-3,7,12H2,1H3