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

Systemtic Name: [3-azanyl-3-methyl-5-[5-(4-phenylmethoxybutyl)thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-5-[5-(4-benzyloxybutyl)-2-thienyl]-3-methyl-pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[5-(4-phenylmethoxybutyl)-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[5-(4-phenylmethoxybutyl)thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-5-[5-(4-benzoxybutyl)-2-thienyl]-3-methyl-pentyl]phosphonic acid Formula: C21H32NO4PS MolecularWeight: 425.521841

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)CCCCOCC2=CC=CC=C2)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(S1)CCCCOCC2=CC=CC=C2)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H32NO4PS/c1-21(22,14-16-27(23,24)25)13-12-20-11-10-19(28-20)9-5-6-15-26-17-18-7-3-2-4-8-18/h2-4,7-8,10-11H,5-6,9,12-17,22H2,1H3,(H2,23,24,25)