1-[3-(1-adamantyl)propyl]-1-propyl-3-(3-pyridin-4-ylpropyl)urea phosphate

Systemtic Name: 1-[3-(1-adamantyl)propyl]-1-propyl-3-(3-pyridin-4-ylpropyl)urea phosphate Openeye Name: 1-[3-(1-adamantyl)propyl]-1-propyl-3-[3-(4-pyridyl)propyl]urea phosphate CAS Name: 1-[3-(1-adamantyl)propyl]-1-propyl-3-(3-pyridin-4-ylpropyl)urea phosphate IUPAC Name: 1-[3-(1-adamantyl)propyl]-1-propyl-3-(3-pyridin-4-ylpropyl)urea phosphate Traditional Name: 1-[3-(1-adamantyl)propyl]-1-propyl-3-[3-(4-pyridyl)propyl]urea phosphate Formula: C25H39N3O5P-3 MolecularWeight: 492.568021

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCN(CCCC12CC3CC(C1)CC(C3)C2)C(=O)NCCCC4=CC=NC=C4.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C25H39N3O.H3O4P/c1-2-12-28(24(29)27-9-3-5-20-6-10-26-11-7-20)13-4-8-25-17-21-14-22(18-25)16-23(15-21)19-25;1-5(2,3)4/h6-7,10-11,21-23H,2-5,8-9,12-19H2,1H3,(H,27,29);(H3,1,2,3,4)/p-3