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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(N1C)C#CCCCC2=CC=CC=C2)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(N1C)C#CCCCC2=CC=CC=C2)(CCP(=O)(O)O)N

InChI

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