2-[3-aminocarbonyl-4-(3-chloranyl-4-phosphonooxy-phenyl)-2-methyl-5-pentyl-pyrrol-1-yl]ethyl dihydrogen phosphate

Systemtic Name: 2-[3-aminocarbonyl-4-(3-chloranyl-4-phosphonooxy-phenyl)-2-methyl-5-pentyl-pyrrol-1-yl]ethyl dihydrogen phosphate Openeye Name: 2-[3-carbamoyl-4-(3-chloro-4-phosphonooxy-phenyl)-2-methyl-5-pentyl-pyrrol-1-yl]ethyl dihydrogen phosphate CAS Name: 2-[3-carbamoyl-4-(3-chloro-4-phosphonooxyphenyl)-2-methyl-5-pentyl-1-pyrrolyl]ethyl dihydrogen phosphate IUPAC Name: 2-[3-carbamoyl-4-(3-chloro-4-phosphonooxyphenyl)-2-methyl-5-pentylpyrrol-1-yl]ethyl dihydrogen phosphate Traditional Name: 2-[2-amyl-4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-5-methyl-pyrrol-1-yl]ethyl dihydrogen phosphate Formula: C19H27ClN2O9P2 MolecularWeight: 524.826202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCOP(=O)(O)O)C)C(=O)N)C2=CC(=C(C=C2)OP(=O)(O)O)Cl

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCOP(=O)(O)O)C)C(=O)N)C2=CC(=C(C=C2)OP(=O)(O)O)Cl

InChI

InChI=1S/C19H27ClN2O9P2/c1-3-4-5-6-15-18(13-7-8-16(14(20)11-13)31-33(27,28)29)17(19(21)23)12(2)22(15)9-10-30-32(24,25)26/h7-8,11H,3-6,9-10H2,1-2H3,(H2,21,23)(H2,24,25,26)(H2,27,28,29)