[(2S,4S)-4-(3-chloranyl-4-octyl-phenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate

Systemtic Name: [(2S,4S)-4-(3-chloranyl-4-octyl-phenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate Openeye Name: [(2S,4S)-4-(3-chloro-4-octyl-phenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate CAS Name: [(2S,4S)-4-(3-chloro-4-octylphenoxy)-2-pyrrolidinyl]methyl dihydrogen phosphate IUPAC Name: [(2S,4S)-4-(3-chloro-4-octylphenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate Traditional Name: [(2S,4S)-4-(3-chloro-4-octyl-phenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate Formula: C19H31ClNO5P MolecularWeight: 419.879901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)OC2CC(NC2)COP(=O)(O)O)Cl

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)O[C@H]2C[C@H](NC2)COP(=O)(O)O)Cl

InChI

InChI=1S/C19H31ClNO5P/c1-2-3-4-5-6-7-8-15-9-10-17(12-19(15)20)26-18-11-16(21-13-18)14-25-27(22,23)24/h9-10,12,16,18,21H,2-8,11,13-14H2,1H3,(H2,22,23,24)/t16-,18-/m0/s1