(4-butoxy-3-fluoranyl-phenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Systemtic Name: (4-butoxy-3-fluoranyl-phenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Openeye Name: (4-butoxy-3-fluoro-phenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone CAS Name: (4-butoxy-3-fluorophenyl)-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone IUPAC Name: (4-butoxy-3-fluorophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone Traditional Name: (4-butoxy-3-fluoro-phenyl)-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone Formula: C20H29FN2O2 MolecularWeight: 348.454863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCCC2CN3CCCC3)F

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2CN3CCCC3)F

InChI

InChI=1S/C20H29FN2O2/c1-2-3-13-25-19-9-8-16(14-18(19)21)20(24)23-12-6-7-17(23)15-22-10-4-5-11-22/h8-9,14,17H,2-7,10-13,15H2,1H3/t17-/m0/s1