[5-(2-methyloctan-2-yl)-2-piperidin-3-yl-phenyl] dihydrogen phosphate

Systemtic Name: [5-(2-methyloctan-2-yl)-2-piperidin-3-yl-phenyl] dihydrogen phosphate Openeye Name: [5-(1,1-dimethylheptyl)-2-(3-piperidyl)phenyl] dihydrogen phosphate CAS Name: [5-(2-methyloctan-2-yl)-2-(3-piperidinyl)phenyl] dihydrogen phosphate IUPAC Name: [5-(2-methyloctan-2-yl)-2-piperidin-3-ylphenyl] dihydrogen phosphate Traditional Name: [5-(1,1-dimethylheptyl)-2-(3-piperidyl)phenyl] dihydrogen phosphate Formula: C20H34NO4P MolecularWeight: 383.462021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCNC2)OP(=O)(O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCNC2)OP(=O)(O)O

InChI

InChI=1S/C20H34NO4P/c1-4-5-6-7-12-20(2,3)17-10-11-18(16-9-8-13-21-15-16)19(14-17)25-26(22,23)24/h10-11,14,16,21H,4-9,12-13,15H2,1-3H3,(H2,22,23,24)