[3-azanyl-3-methyl-5-[5-[4-(4-methylphenoxy)but-1-ynyl]thiophen-2-yl]pentyl]phosphonic acid

Systemtic Name: [3-azanyl-3-methyl-5-[5-[4-(4-methylphenoxy)but-1-ynyl]thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[5-[4-(4-methylphenoxy)but-1-ynyl]-2-thienyl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[5-[4-(4-methylphenoxy)but-1-ynyl]-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[5-[4-(4-methylphenoxy)but-1-ynyl]thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[5-[4-(4-methylphenoxy)but-1-ynyl]-2-thienyl]pentyl]phosphonic acid Formula: C21H28NO4PS MolecularWeight: 421.490081

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC#CC2=CC=C(S2)CCC(C)(CCP(=O)(O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)OCCC#CC2=CC=C(S2)CCC(C)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H28NO4PS/c1-17-6-8-18(9-7-17)26-15-4-3-5-19-10-11-20(28-19)12-13-21(2,22)14-16-27(23,24)25/h6-11H,4,12-16,22H2,1-2H3,(H2,23,24,25)