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

Systemtic Name: 3-[3-aminocarbonyl-4-(3-chloranyl-4-phosphonooxy-phenyl)-2-hexan-2-yl-5-methyl-pyrrol-1-yl]propyl dihydrogen phosphate Openeye Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-2-methyl-5-(1-methylpentyl)pyrrol-1-yl]propyl dihydrogen phosphate CAS Name: 3-[3-carbamoyl-4-(3-chloro-4-phosphonooxyphenyl)-2-hexan-2-yl-5-methyl-1-pyrrolyl]propyl dihydrogen phosphate IUPAC Name: 3-[3-carbamoyl-4-(3-chloro-4-phosphonooxyphenyl)-2-hexan-2-yl-5-methylpyrrol-1-yl]propyl dihydrogen phosphate Traditional Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-2-methyl-5-(1-methylpentyl)pyrrol-1-yl]propyl dihydrogen phosphate Formula: C21H31ClN2O9P2 MolecularWeight: 552.879362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=C(C(=C(N1CCCOP(=O)(O)O)C)C2=CC(=C(C=C2)OP(=O)(O)O)Cl)C(=O)N

Isomeric SMILES

CCCCC(C)C1=C(C(=C(N1CCCOP(=O)(O)O)C)C2=CC(=C(C=C2)OP(=O)(O)O)Cl)C(=O)N

InChI

InChI=1S/C21H31ClN2O9P2/c1-4-5-7-13(2)20-19(21(23)25)18(14(3)24(20)10-6-11-32-34(26,27)28)15-8-9-17(16(22)12-15)33-35(29,30)31/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2,23,25)(H2,26,27,28)(H2,29,30,31)