[2-azanyl-4-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate

Systemtic Name: [2-azanyl-4-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[1-ethyl-5-(1-oxo-4-phenylbutyl)-2-pyrrolyl]-2-methylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-2-methylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[1-ethyl-5-(4-phenylbutanoyl)pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate Formula: C21H31N2O5P MolecularWeight: 422.455001

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=C1C(=O)CCCC2=CC=CC=C2)CCC(C)(COP(=O)(O)O)N

Isomeric SMILES

CCN1C(=CC=C1C(=O)CCCC2=CC=CC=C2)CCC(C)(COP(=O)(O)O)N

InChI

InChI=1S/C21H31N2O5P/c1-3-23-18(14-15-21(2,22)16-28-29(25,26)27)12-13-19(23)20(24)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-13H,3,7,10-11,14-16,22H2,1-2H3,(H2,25,26,27)