SpectraBase Compound ID | 3dxO6OPJzWN |
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InChI | InChI=1S/C26H36N2O3/c1-20(2)19-31-25-17-23(13-14-24(25)30-3)27-26(29)22-12-8-16-28(18-22)15-7-11-21-9-5-4-6-10-21/h4-6,9-10,13-14,17,20,22H,7-8,11-12,15-16,18-19H2,1-3H3,(H,27,29) |
InChIKey | JSXHJZHAZDOQRY-UHFFFAOYSA-N |
Mol Weight | 424.6 g/mol |
Molecular Formula | C26H36N2O3 |
Exact Mass | 424.272593 g/mol |
SpectraBase Spectrum ID | 2wvolZUBLHp |
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Name | 3-Piperidinecarboxamide, N-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(3-phenylpropyl)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 424.272593024 u |
Formula | C26H36N2O3 |
InChI | InChI=1S/C26H36N2O3/c1-20(2)19-31-25-17-23(13-14-24(25)30-3)27-26(29)22-12-8-16-28(18-22)15-7-11-21-9-5-4-6-10-21/h4-6,9-10,13-14,17,20,22H,7-8,11-12,15-16,18-19H2,1-3H3,(H,27,29) |
InChIKey | JSXHJZHAZDOQRY-UHFFFAOYSA-N |
Molecular Weight | 424.585 g/mol |
SMILES | N(C(C1CN(CCCC=2C=CC=CC2)CCC1)=O)C1=CC(OCC(C)C)=C(C=C1)OC |