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

Systemtic Name: [2-azanyl-2-methyl-4-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]butyl] dihydrogen phosphate Openeye Name: [2-amino-2-methyl-4-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]butyl] dihydrogen phosphate CAS Name: [2-amino-2-methyl-4-[1-methyl-5-(1-oxo-4-phenylbutyl)-2-pyrrolyl]butyl] dihydrogen phosphate IUPAC Name: [2-amino-2-methyl-4-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]butyl] dihydrogen phosphate Traditional Name: [2-amino-2-methyl-4-[1-methyl-5-(4-phenylbutanoyl)pyrrol-2-yl]butyl] dihydrogen phosphate Formula: C20H29N2O5P MolecularWeight: 408.428421

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=CC=C2)(COP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=CC=C2)(COP(=O)(O)O)N

InChI

InChI=1S/C20H29N2O5P/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/h3-5,7-8,11-12H,6,9-10,13-15,21H2,1-2H3,(H2,24,25,26)