[3-azanyl-5-[5-[3-(3-ethanoylphenoxy)prop-1-ynyl]thiophen-2-yl]-3-methyl-pentyl]phosphonic acid

Systemtic Name: [3-azanyl-5-[5-[3-(3-ethanoylphenoxy)prop-1-ynyl]thiophen-2-yl]-3-methyl-pentyl]phosphonic acid Openeye Name: [5-[5-[3-(3-acetylphenoxy)prop-1-ynyl]-2-thienyl]-3-amino-3-methyl-pentyl]phosphonic acid CAS Name: [5-[5-[3-(3-acetylphenoxy)prop-1-ynyl]-2-thiophenyl]-3-amino-3-methylpentyl]phosphonic acid IUPAC Name: [5-[5-[3-(3-acetylphenoxy)prop-1-ynyl]thiophen-2-yl]-3-amino-3-methylpentyl]phosphonic acid Traditional Name: [5-[5-[3-(3-acetylphenoxy)prop-1-ynyl]-2-thienyl]-3-amino-3-methyl-pentyl]phosphonic acid Formula: C21H26NO5PS MolecularWeight: 435.473601

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC#CC2=CC=C(S2)CCC(C)(CCP(=O)(O)O)N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC#CC2=CC=C(S2)CCC(C)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H26NO5PS/c1-16(23)17-5-3-6-18(15-17)27-13-4-7-19-8-9-20(29-19)10-11-21(2,22)12-14-28(24,25)26/h3,5-6,8-9,15H,10-14,22H2,1-2H3,(H2,24,25,26)