3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-1-yl]propan-1-amine

Systemtic Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-1-yl]propan-1-amine Openeye Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3H-isobenzofuran-1-yl]propan-1-amine CAS Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3H-isobenzofuran-1-yl]-1-propanamine IUPAC Name: 3-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3H-2-benzofuran-1-yl]propan-1-amine Traditional Name: 3-[1-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]phthalan-1-yl]propylamine Formula: C21H21F6NO2 MolecularWeight: 433.387359

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(O1)(CCCN)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2C(O1)(CCCN)COCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H21F6NO2/c22-20(23,24)16-8-14(9-17(10-16)21(25,26)27)11-29-13-19(6-3-7-28)18-5-2-1-4-15(18)12-30-19/h1-2,4-5,8-10H,3,6-7,11-13,28H2