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

Systemtic Name: [3-azanyl-3-methyl-5-[5-[5-(3-methylphenyl)pentanoyl]thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[5-[5-(m-tolyl)pentanoyl]-2-thienyl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[5-[5-(3-methylphenyl)-1-oxopentyl]-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[5-[5-(3-methylphenyl)pentanoyl]thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[5-[5-(m-tolyl)pentanoyl]-2-thienyl]pentyl]phosphonic acid Formula: C22H32NO4PS MolecularWeight: 437.532541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32NO4PS/c1-17-6-5-8-18(16-17)7-3-4-9-20(24)21-11-10-19(29-21)12-13-22(2,23)14-15-28(25,26)27/h5-6,8,10-11,16H,3-4,7,9,12-15,23H2,1-2H3,(H2,25,26,27)