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

Systemtic Name: [2-azanyl-4-[5-(4-cyclohexylbutanoyl)-1-methyl-pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[5-(4-cyclohexylbutanoyl)-1-methyl-pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[5-(4-cyclohexyl-1-oxobutyl)-1-methyl-2-pyrrolyl]-2-methylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[5-(4-cyclohexylbutanoyl)-1-methylpyrrol-2-yl]-2-methylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[5-(4-cyclohexylbutanoyl)-1-methyl-pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate Formula: C20H35N2O5P MolecularWeight: 414.476061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCC2CCCCC2)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCC2CCCCC2)(COP(=O)(O)O)N

InChI

InChI=1S/C20H35N2O5P/c1-20(21,15-27-28(24,25)26)14-13-17-11-12-18(22(17)2)19(23)10-6-9-16-7-4-3-5-8-16/h11-12,16H,3-10,13-15,21H2,1-2H3,(H2,24,25,26)