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

Systemtic Name: [2-azanyl-4-[5-(4-cyclohexyloxybut-1-ynyl)-1-methyl-pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate Openeye Name: [2-amino-4-[5-[4-(cyclohexoxy)but-1-ynyl]-1-methyl-pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate CAS Name: [2-amino-4-[5-(4-cyclohexyloxybut-1-ynyl)-1-methyl-2-pyrrolyl]-2-methylbutyl] dihydrogen phosphate IUPAC Name: [2-amino-4-[5-(4-cyclohexyloxybut-1-ynyl)-1-methylpyrrol-2-yl]-2-methylbutyl] dihydrogen phosphate Traditional Name: [2-amino-4-[5-[4-(cyclohexoxy)but-1-ynyl]-1-methyl-pyrrol-2-yl]-2-methyl-butyl] dihydrogen phosphate Formula: C20H33N2O5P MolecularWeight: 412.460181

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C#CCCOC2CCCCC2)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C#CCCOC2CCCCC2)(COP(=O)(O)O)N

InChI

InChI=1S/C20H33N2O5P/c1-20(21,16-27-28(23,24)25)14-13-18-12-11-17(22(18)2)8-6-7-15-26-19-9-4-3-5-10-19/h11-12,19H,3-5,7,9-10,13-16,21H2,1-2H3,(H2,23,24,25)