3-bromanyl-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,5-dimethoxy-6-oxidanyl-benzamide

Systemtic Name: 3-bromanyl-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2,5-dimethoxy-6-oxidanyl-benzamide Openeye Name: 5-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-3,6-dimethoxy-benzamide CAS Name: 5-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]-2-pyrrolidinyl]methyl]-2-hydroxy-3,6-dimethoxybenzamide IUPAC Name: 5-bromo-N-[[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-hydroxy-3,6-dimethoxybenzamide Traditional Name: 5-bromo-N-[[(2R)-1-(4-fluorobenzyl)pyrrolidin-2-yl]methyl]-2-hydroxy-3,6-dimethoxy-benzamide Formula: C21H24BrFN2O4 MolecularWeight: 467.328663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1O)C(=O)NCC2CCCN2CC3=CC=C(C=C3)F)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1O)C(=O)NC[C@H]2CCCN2CC3=CC=C(C=C3)F)OC)Br

InChI

InChI=1S/C21H24BrFN2O4/c1-28-17-10-16(22)20(29-2)18(19(17)26)21(27)24-11-15-4-3-9-25(15)12-13-5-7-14(23)8-6-13/h5-8,10,15,26H,3-4,9,11-12H2,1-2H3,(H,24,27)/t15-/m1/s1