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

Systemtic Name: [3-azanyl-3-methyl-5-[5-[4-(3-methylphenoxy)butanoyl]thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[5-[4-(3-methylphenoxy)butanoyl]-2-thienyl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[5-[4-(3-methylphenoxy)-1-oxobutyl]-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[5-[4-(3-methylphenoxy)butanoyl]thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[5-[4-(3-methylphenoxy)butanoyl]-2-thienyl]pentyl]phosphonic acid Formula: C21H30NO5PS MolecularWeight: 439.505361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)C2=CC=C(S2)CCC(C)(CCP(=O)(O)O)N

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)C2=CC=C(S2)CCC(C)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H30NO5PS/c1-16-5-3-6-17(15-16)27-13-4-7-19(23)20-9-8-18(29-20)10-11-21(2,22)12-14-28(24,25)26/h3,5-6,8-9,15H,4,7,10-14,22H2,1-2H3,(H2,24,25,26)