N-methyl-1-[(3R,4S)-4-(2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl]methanamine

Systemtic Name: N-methyl-1-[(3R,4S)-4-(2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl]methanamine Openeye Name: N-methyl-1-[(3R,4S)-4-(2-methylphenoxy)isochroman-3-yl]methanamine CAS Name: N-methyl-1-[(3R,4S)-4-(2-methylphenoxy)-3,4-dihydro-1H-2-benzopyran-3-yl]methanamine IUPAC Name: N-methyl-1-[(3R,4S)-4-(2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl]methanamine Traditional Name: methyl-[[(3R,4S)-4-(2-methylphenoxy)isochroman-3-yl]methyl]amine Formula: C18H21NO2 MolecularWeight: 283.36484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2C(OCC3=CC=CC=C23)CNC

Isomeric SMILES

CC1=CC=CC=C1O[C@@H]2[C@H](OCC3=CC=CC=C23)CNC

InChI

InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m1/s1