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

Systemtic Name: [4-[4-aminocarbonyl-2-(cyclohexylmethyl)-5-methyl-1-(2-phosphonooxyethyl)pyrrol-3-yl]phenyl] dihydrogen phosphate Openeye Name: [4-[4-carbamoyl-2-(cyclohexylmethyl)-5-methyl-1-(2-phosphonooxyethyl)pyrrol-3-yl]phenyl] dihydrogen phosphate CAS Name: [4-[4-carbamoyl-2-(cyclohexylmethyl)-5-methyl-1-(2-phosphonooxyethyl)-3-pyrrolyl]phenyl] dihydrogen phosphate IUPAC Name: [4-[4-carbamoyl-2-(cyclohexylmethyl)-5-methyl-1-(2-phosphonooxyethyl)pyrrol-3-yl]phenyl] dihydrogen phosphate Traditional Name: [4-[4-carbamoyl-2-(cyclohexylmethyl)-5-methyl-1-(2-phosphonooxyethyl)pyrrol-3-yl]phenyl] dihydrogen phosphate Formula: C21H30N2O9P2 MolecularWeight: 516.418422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCOP(=O)(O)O)CC2CCCCC2)C3=CC=C(C=C3)OP(=O)(O)O)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCOP(=O)(O)O)CC2CCCCC2)C3=CC=C(C=C3)OP(=O)(O)O)C(=O)N

InChI

InChI=1S/C21H30N2O9P2/c1-14-19(21(22)24)20(16-7-9-17(10-8-16)32-34(28,29)30)18(13-15-5-3-2-4-6-15)23(14)11-12-31-33(25,26)27/h7-10,15H,2-6,11-13H2,1H3,(H2,22,24)(H2,25,26,27)(H2,28,29,30)