1-[(3S,4S)-4-(2-fluoranyl-6-methyl-phenoxy)-3,4-dihydro-1H-isochromen-3-yl]-N-methyl-methanamine

Systemtic Name: 1-[(3S,4S)-4-(2-fluoranyl-6-methyl-phenoxy)-3,4-dihydro-1H-isochromen-3-yl]-N-methyl-methanamine Openeye Name: 1-[(3S,4S)-4-(2-fluoro-6-methyl-phenoxy)isochroman-3-yl]-N-methyl-methanamine CAS Name: 1-[(3S,4S)-4-(2-fluoro-6-methylphenoxy)-3,4-dihydro-1H-2-benzopyran-3-yl]-N-methylmethanamine IUPAC Name: 1-[(3S,4S)-4-(2-fluoro-6-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl]-N-methylmethanamine Traditional Name: [(3S,4S)-4-(2-fluoro-6-methyl-phenoxy)isochroman-3-yl]methyl-methyl-amine Formula: C18H20FNO2 MolecularWeight: 301.355303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)F)OC2C(OCC3=CC=CC=C23)CNC

Isomeric SMILES

CC1=C(C(=CC=C1)F)O[C@@H]2[C@@H](OCC3=CC=CC=C23)CNC

InChI

InChI=1S/C18H20FNO2/c1-12-6-5-9-15(19)17(12)22-18-14-8-4-3-7-13(14)11-21-16(18)10-20-2/h3-9,16,18,20H,10-11H2,1-2H3/t16-,18-/m0/s1