1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine; methanesulfonic acid

Systemtic Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine; methanesulfonic acid Openeye Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine; methanesulfonic acid CAS Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine; methanesulfonic acid IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine; methanesulfonic acid Traditional Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)phthalan-5-carbonitrile; (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine; mesylic acid Formula: C40H48FN3O7S MolecularWeight: 733.888423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3.CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.CS(=O)(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3.CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.CS(=O)(=O)O

InChI

InChI=1S/C20H21FN2O.C19H23NO3.CH4O3S/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h4-9,12H,3,10-11,14H2,1-2H3;3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)/t;18-,19-;/m.0./s1