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

Systemtic Name: 3-[4-aminocarbonyl-3-(3-chloranyl-4-phosphonooxy-phenyl)-2-(2-methylpentyl)-5-propyl-pyrrol-1-yl]propyl dihydrogen phosphate Openeye Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-2-(2-methylpentyl)-5-propyl-pyrrol-1-yl]propyl dihydrogen phosphate CAS Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxyphenyl)-2-(2-methylpentyl)-5-propyl-1-pyrrolyl]propyl dihydrogen phosphate IUPAC Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxyphenyl)-2-(2-methylpentyl)-5-propylpyrrol-1-yl]propyl dihydrogen phosphate Traditional Name: 3-[4-carbamoyl-3-(3-chloro-4-phosphonooxy-phenyl)-2-(2-methylpentyl)-5-propyl-pyrrol-1-yl]propyl dihydrogen phosphate Formula: C23H35ClN2O9P2 MolecularWeight: 580.932522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CCCOP(=O)(O)O)CC(C)CCC)C2=CC(=C(C=C2)OP(=O)(O)O)Cl)C(=O)N

Isomeric SMILES

CCCC1=C(C(=C(N1CCCOP(=O)(O)O)CC(C)CCC)C2=CC(=C(C=C2)OP(=O)(O)O)Cl)C(=O)N

InChI

InChI=1S/C23H35ClN2O9P2/c1-4-7-15(3)13-19-21(16-9-10-20(17(24)14-16)35-37(31,32)33)22(23(25)27)18(8-5-2)26(19)11-6-12-34-36(28,29)30/h9-10,14-15H,4-8,11-13H2,1-3H3,(H2,25,27)(H2,28,29,30)(H2,31,32,33)