(2S)-1-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[[3-bromanyl-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[3-bromo-4-(2-fluorobenzyl)oxy-5-methoxy-benzyl]pyrrolidine-2-carboxamide Formula: C20H22BrFN2O3 MolecularWeight: 437.302683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CCCC2C(=O)N)Br)OCC3=CC=CC=C3F

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2CCC[C@H]2C(=O)N)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C20H22BrFN2O3/c1-26-18-10-13(11-24-8-4-7-17(24)20(23)25)9-15(21)19(18)27-12-14-5-2-3-6-16(14)22/h2-3,5-6,9-10,17H,4,7-8,11-12H2,1H3,(H2,23,25)/t17-/m0/s1