(2E)-2-[[4-(4-diphenylphosphoryloxypiperidin-1-yl)pyridin-3-yl]methylidene]hexanamide

Systemtic Name: (2E)-2-[[4-(4-diphenylphosphoryloxypiperidin-1-yl)pyridin-3-yl]methylidene]hexanamide Openeye Name: (2E)-2-[[4-(4-diphenylphosphoryloxy-1-piperidyl)-3-pyridyl]methylene]hexanamide CAS Name: (2E)-2-[[4-(4-diphenylphosphoryloxy-1-piperidinyl)-3-pyridinyl]methylidene]hexanamide IUPAC Name: (2E)-2-[[4-(4-diphenylphosphoryloxypiperidin-1-yl)pyridin-3-yl]methylidene]hexanamide Traditional Name: (E)-2-butyl-3-[4-(4-diphenylphosphoryloxypiperidino)-3-pyridyl]acrylamide Formula: C29H34N3O3P MolecularWeight: 503.572321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=C(C=CN=C1)N2CCC(CC2)OP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCC/C(=C\C1=C(C=CN=C1)N2CCC(CC2)OP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)N

InChI

InChI=1S/C29H34N3O3P/c1-2-3-10-23(29(30)33)21-24-22-31-18-15-28(24)32-19-16-25(17-20-32)35-36(34,26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-9,11-15,18,21-22,25H,2-3,10,16-17,19-20H2,1H3,(H2,30,33)/b23-21+