1-[[(2S)-1-(2-diphenylphosphoryl-6-methoxy-phenyl)pyrrolidin-2-yl]methyl]piperidine

Systemtic Name: 1-[[(2S)-1-(2-diphenylphosphoryl-6-methoxy-phenyl)pyrrolidin-2-yl]methyl]piperidine Openeye Name: 1-[[(2S)-1-(2-diphenylphosphoryl-6-methoxy-phenyl)pyrrolidin-2-yl]methyl]piperidine CAS Name: 1-[[(2S)-1-(2-diphenylphosphoryl-6-methoxyphenyl)-2-pyrrolidinyl]methyl]piperidine IUPAC Name: 1-[[(2S)-1-(2-diphenylphosphoryl-6-methoxyphenyl)pyrrolidin-2-yl]methyl]piperidine Traditional Name: 1-[[(2S)-1-(2-diphenylphosphoryl-6-methoxy-phenyl)pyrrolidin-2-yl]methyl]piperidine Formula: C29H35N2O2P MolecularWeight: 474.574161

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)N4CCCC4CN5CCCCC5

Isomeric SMILES

COC1=C(C(=CC=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)N4CCC[C@H]4CN5CCCCC5

InChI

InChI=1S/C29H35N2O2P/c1-33-27-18-11-19-28(29(27)31-22-12-13-24(31)23-30-20-9-4-10-21-30)34(32,25-14-5-2-6-15-25)26-16-7-3-8-17-26/h2-3,5-8,11,14-19,24H,4,9-10,12-13,20-23H2,1H3/t24-/m0/s1