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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO5PS/c1-16-5-7-17(8-6-16)27-14-3-4-19(23)20-10-9-18(29-20)11-12-21(2,22)13-15-28(24,25)26/h5-10H,3-4,11-15,22H2,1-2H3,(H2,24,25,26)