4-[1-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)ethylamino]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[1-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)ethylamino]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[1-(6,7-dimethoxyisochroman-1-yl)ethylamino]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[1-(6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)ethylamino]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[1-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)ethylamino]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[1-(6,7-dimethoxyisochroman-1-yl)ethylamino]-1-(4-fluorophenyl)butan-1-one Formula: C23H28FNO4 MolecularWeight: 401.471123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2=CC(=C(C=C2CCO1)OC)OC)NCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C1C2=CC(=C(C=C2CCO1)OC)OC)NCCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FNO4/c1-15(25-11-4-5-20(26)16-6-8-18(24)9-7-16)23-19-14-22(28-3)21(27-2)13-17(19)10-12-29-23/h6-9,13-15,23,25H,4-5,10-12H2,1-3H3