1-[1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)heptan-4-yl]urea; phosphoric acid

Systemtic Name: 1-[1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)heptan-4-yl]urea; phosphoric acid Openeye Name: [4-(1-adamantyl)-1-propyl-1-[2-(4-pyridyl)ethyl]butyl]urea; phosphoric acid CAS Name: [1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)heptan-4-yl]urea; phosphoric acid IUPAC Name: [1-(1-adamantyl)-4-(2-pyridin-4-ylethyl)heptan-4-yl]urea; phosphoric acid Traditional Name: [4-(1-adamantyl)-1-propyl-1-[2-(4-pyridyl)ethyl]butyl]urea; phosphoric acid Formula: C25H42N3O5P MolecularWeight: 495.591841

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC12CC3CC(C1)CC(C3)C2)(CCC4=CC=NC=C4)NC(=O)N.OP(=O)(O)O

Isomeric SMILES

CCCC(CCCC12CC3CC(C1)CC(C3)C2)(CCC4=CC=NC=C4)NC(=O)N.OP(=O)(O)O

InChI

InChI=1S/C25H39N3O.H3O4P/c1-2-7-25(28-23(26)29,10-4-19-5-11-27-12-6-19)9-3-8-24-16-20-13-21(17-24)15-22(14-20)18-24;1-5(2,3)4/h5-6,11-12,20-22H,2-4,7-10,13-18H2,1H3,(H3,26,28,29);(H3,1,2,3,4)