[3-azanyl-3-methyl-5-[5-(4-phenoxybutanoyl)thiophen-2-yl]pentyl]phosphonic acid

Systemtic Name: [3-azanyl-3-methyl-5-[5-(4-phenoxybutanoyl)thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[5-(4-phenoxybutanoyl)-2-thienyl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[5-(1-oxo-4-phenoxybutyl)-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[5-(4-phenoxybutanoyl)thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[5-(4-phenoxybutanoyl)-2-thienyl]pentyl]phosphonic acid Formula: C20H28NO5PS MolecularWeight: 425.478781

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCOC2=CC=CC=C2)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCOC2=CC=CC=C2)(CCP(=O)(O)O)N

InChI

InChI=1S/C20H28NO5PS/c1-20(21,13-15-27(23,24)25)12-11-17-9-10-19(28-17)18(22)8-5-14-26-16-6-3-2-4-7-16/h2-4,6-7,9-10H,5,8,11-15,21H2,1H3,(H2,23,24,25)