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

Systemtic Name: [3-azanyl-3-methyl-5-[5-(5-phenoxypentanoyl)thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[5-(5-phenoxypentanoyl)-2-thienyl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[5-(1-oxo-5-phenoxypentyl)-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[5-(5-phenoxypentanoyl)thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[5-(5-phenoxypentanoyl)-2-thienyl]pentyl]phosphonic acid Formula: C21H30NO5PS MolecularWeight: 439.505361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCCOC2=CC=CC=C2)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCCOC2=CC=CC=C2)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H30NO5PS/c1-21(22,14-16-28(24,25)26)13-12-18-10-11-20(29-18)19(23)9-5-6-15-27-17-7-3-2-4-8-17/h2-4,7-8,10-11H,5-6,9,12-16,22H2,1H3,(H2,24,25,26)