[1-azanyl-3-[4-heptoxy-3-(trifluoromethyl)phenyl]cyclopentyl]methyl dihydrogen phosphate

Systemtic Name: [1-azanyl-3-[4-heptoxy-3-(trifluoromethyl)phenyl]cyclopentyl]methyl dihydrogen phosphate Openeye Name: [1-amino-3-[4-heptoxy-3-(trifluoromethyl)phenyl]cyclopentyl]methyl dihydrogen phosphate CAS Name: [1-amino-3-[4-heptoxy-3-(trifluoromethyl)phenyl]cyclopentyl]methyl dihydrogen phosphate IUPAC Name: [1-amino-3-[4-heptoxy-3-(trifluoromethyl)phenyl]cyclopentyl]methyl dihydrogen phosphate Traditional Name: [1-amino-3-[4-heptoxy-3-(trifluoromethyl)phenyl]cyclopentyl]methyl dihydrogen phosphate Formula: C20H31F3NO5P MolecularWeight: 453.432811

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2CCC(C2)(COP(=O)(O)O)N)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2CCC(C2)(COP(=O)(O)O)N)C(F)(F)F

InChI

InChI=1S/C20H31F3NO5P/c1-2-3-4-5-6-11-28-18-8-7-15(12-17(18)20(21,22)23)16-9-10-19(24,13-16)14-29-30(25,26)27/h7-8,12,16H,2-6,9-11,13-14,24H2,1H3,(H2,25,26,27)