4-[4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluoranyl-benzamide

Systemtic Name: 4-[4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluoranyl-benzamide Openeye Name: 4-[4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluoro-benzamide CAS Name: 4-[4-[[2-(3,5-dimethylphenyl)-1-pyrrolidinyl]methyl]phenoxy]-3-fluorobenzamide IUPAC Name: 4-[4-[[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]methyl]phenoxy]-3-fluorobenzamide Traditional Name: 4-[4-[[2-(3,5-dimethylphenyl)pyrrolidino]methyl]phenoxy]-3-fluoro-benzamide Formula: C26H27FN2O2 MolecularWeight: 418.503183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2CCCN2CC3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)N)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2CCCN2CC3=CC=C(C=C3)OC4=C(C=C(C=C4)C(=O)N)F)C

InChI

InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)