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Ethyl 4-{3-[(1-benzyl-4-piperidinyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate
SpectraBase Compound ID DxHYxLtQQK4
InChI InChI=1S/C25H29N3O4/c1-2-32-25(31)19-8-10-21(11-9-19)28-23(29)16-22(24(28)30)26-20-12-14-27(15-13-20)17-18-6-4-3-5-7-18/h3-11,20,22,26H,2,12-17H2,1H3
InChIKey PJSMLXNHQZCQEP-UHFFFAOYSA-N
Mol Weight 435.52 g/mol
Molecular Formula C25H29N3O4
Exact Mass 435.215806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4zGetE4hvTd
Name Ethyl 4-{3-[(1-benzyl-4-piperidinyl)amino]-2,5-dioxo-1-pyrrolidinyl}benzoate
Comments Computed using HOSE algorithm
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Exact Mass 435.215806422 u
Formula C25H29N3O4
InChI InChI=1S/C25H29N3O4/c1-2-32-25(31)19-8-10-21(11-9-19)28-23(29)16-22(24(28)30)26-20-12-14-27(15-13-20)17-18-6-4-3-5-7-18/h3-11,20,22,26H,2,12-17H2,1H3
InChIKey PJSMLXNHQZCQEP-UHFFFAOYSA-N
Molecular Weight 435.524 g/mol
SMILES N(C1C(N(C(C1)=O)C=1C=CC(C(=O)OCC)=CC1)=O)C1CCN(CC1)CC1=CC=CC=C1