[3-azanyl-3-methyl-5-[1-(5-phenylpent-1-ynyl)pyrrol-2-yl]hexyl]phosphonic acid

Systemtic Name: [3-azanyl-3-methyl-5-[1-(5-phenylpent-1-ynyl)pyrrol-2-yl]hexyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[1-(5-phenylpent-1-ynyl)pyrrol-2-yl]hexyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[1-(5-phenylpent-1-ynyl)-2-pyrrolyl]hexyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[1-(5-phenylpent-1-ynyl)pyrrol-2-yl]hexyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[1-(5-phenylpent-1-ynyl)pyrrol-2-yl]hexyl]phosphonic acid Formula: C22H31N2O3P MolecularWeight: 402.466901

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(CCP(=O)(O)O)N)C1=CC=CN1C#CCCCC2=CC=CC=C2

Isomeric SMILES

CC(CC(C)(CCP(=O)(O)O)N)C1=CC=CN1C#CCCCC2=CC=CC=C2

InChI

InChI=1S/C22H31N2O3P/c1-19(18-22(2,23)14-17-28(25,26)27)21-13-9-16-24(21)15-8-4-7-12-20-10-5-3-6-11-20/h3,5-6,9-11,13,16,19H,4,7,12,14,17-18,23H2,1-2H3,(H2,25,26,27)