[3-azanyl-3-ethyl-5-[5-(4-phenylbutanoyl)thiophen-2-yl]pentyl]phosphonic acid

Systemtic Name: [3-azanyl-3-ethyl-5-[5-(4-phenylbutanoyl)thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-ethyl-5-[5-(4-phenylbutanoyl)-2-thienyl]pentyl]phosphonic acid CAS Name: [3-amino-3-ethyl-5-[5-(1-oxo-4-phenylbutyl)-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-ethyl-5-[5-(4-phenylbutanoyl)thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-ethyl-5-[5-(4-phenylbutanoyl)-2-thienyl]pentyl]phosphonic acid Formula: C21H30NO4PS MolecularWeight: 423.505961

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(S1)C(=O)CCCC2=CC=CC=C2)(CCP(=O)(O)O)N

Isomeric SMILES

CCC(CCC1=CC=C(S1)C(=O)CCCC2=CC=CC=C2)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H30NO4PS/c1-2-21(22,15-16-27(24,25)26)14-13-18-11-12-20(28-18)19(23)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12H,2,6,9-10,13-16,22H2,1H3,(H2,24,25,26)