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

Systemtic Name: [4-[4-aminocarbonyl-5-methyl-1-(2-phosphonooxyethyl)-2-propyl-pyrrol-3-yl]phenyl] dihydrogen phosphate Openeye Name: [4-[4-carbamoyl-5-methyl-1-(2-phosphonooxyethyl)-2-propyl-pyrrol-3-yl]phenyl] dihydrogen phosphate CAS Name: [4-[4-carbamoyl-5-methyl-1-(2-phosphonooxyethyl)-2-propyl-3-pyrrolyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[4-carbamoyl-5-methyl-1-(2-phosphonooxyethyl)-2-propylpyrrol-3-yl]phenyl] dihydrogen phosphate Traditional Name: [4-[4-carbamoyl-5-methyl-1-(2-phosphonooxyethyl)-2-propyl-pyrrol-3-yl]phenyl] dihydrogen phosphate Formula: C17H24N2O9P2 MolecularWeight: 462.327982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CCOP(=O)(O)O)C)C(=O)N)C2=CC=C(C=C2)OP(=O)(O)O

Isomeric SMILES

CCCC1=C(C(=C(N1CCOP(=O)(O)O)C)C(=O)N)C2=CC=C(C=C2)OP(=O)(O)O

InChI

InChI=1S/C17H24N2O9P2/c1-3-4-14-16(12-5-7-13(8-6-12)28-30(24,25)26)15(17(18)20)11(2)19(14)9-10-27-29(21,22)23/h5-8H,3-4,9-10H2,1-2H3,(H2,18,20)(H2,21,22,23)(H2,24,25,26)