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

Systemtic Name: [(2S,4S)-4-(3-chloranyl-4-heptyl-phenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate Openeye Name: [(2S,4S)-4-(3-chloro-4-heptyl-phenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate CAS Name: [(2S,4S)-4-(3-chloro-4-heptylphenoxy)-2-pyrrolidinyl]methyl dihydrogen phosphate IUPAC Name: [(2S,4S)-4-(3-chloro-4-heptylphenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate Traditional Name: [(2S,4S)-4-(3-chloro-4-heptyl-phenoxy)pyrrolidin-2-yl]methyl dihydrogen phosphate Formula: C18H29ClNO5P MolecularWeight: 405.853321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)OC2CC(NC2)COP(=O)(O)O)Cl

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)O[C@H]2C[C@H](NC2)COP(=O)(O)O)Cl

InChI

InChI=1S/C18H29ClNO5P/c1-2-3-4-5-6-7-14-8-9-16(11-18(14)19)25-17-10-15(20-12-17)13-24-26(21,22)23/h8-9,11,15,17,20H,2-7,10,12-13H2,1H3,(H2,21,22,23)/t15-,17-/m0/s1