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

Systemtic Name: [4-[4-aminocarbonyl-2-ethyl-5-methyl-1-(2-phosphonooxyethyl)pyrrol-3-yl]phenyl] dihydrogen phosphate Openeye Name: [4-[4-carbamoyl-2-ethyl-5-methyl-1-(2-phosphonooxyethyl)pyrrol-3-yl]phenyl] dihydrogen phosphate CAS Name: [4-[4-carbamoyl-2-ethyl-5-methyl-1-(2-phosphonooxyethyl)-3-pyrrolyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[4-carbamoyl-2-ethyl-5-methyl-1-(2-phosphonooxyethyl)pyrrol-3-yl]phenyl] dihydrogen phosphate Traditional Name: [4-[4-carbamoyl-2-ethyl-5-methyl-1-(2-phosphonooxyethyl)pyrrol-3-yl]phenyl] dihydrogen phosphate Formula: C16H22N2O9P2 MolecularWeight: 448.301402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1CCOP(=O)(O)O)C)C(=O)N)C2=CC=C(C=C2)OP(=O)(O)O

Isomeric SMILES

CCC1=C(C(=C(N1CCOP(=O)(O)O)C)C(=O)N)C2=CC=C(C=C2)OP(=O)(O)O

InChI

InChI=1S/C16H22N2O9P2/c1-3-13-15(11-4-6-12(7-5-11)27-29(23,24)25)14(16(17)19)10(2)18(13)8-9-26-28(20,21)22/h4-7H,3,8-9H2,1-2H3,(H2,17,19)(H2,20,21,22)(H2,23,24,25)