[6-[[3-propan-2-yloxy-5-(2-thiophen-2-ylethoxy)phenyl]carbonylamino]pyridin-3-yl]phosphonic acid

Systemtic Name: [6-[[3-propan-2-yloxy-5-(2-thiophen-2-ylethoxy)phenyl]carbonylamino]pyridin-3-yl]phosphonic acid Openeye Name: [6-[[3-isopropoxy-5-[2-(2-thienyl)ethoxy]benzoyl]amino]-3-pyridyl]phosphonic acid CAS Name: [6-[[oxo-[3-propan-2-yloxy-5-(2-thiophen-2-ylethoxy)phenyl]methyl]amino]-3-pyridinyl]phosphonic acid IUPAC Name: [6-[[3-propan-2-yloxy-5-(2-thiophen-2-ylethoxy)benzoyl]amino]pyridin-3-yl]phosphonic acid Traditional Name: [6-[[3-isopropoxy-5-[2-(2-thienyl)ethoxy]benzoyl]amino]-3-pyridyl]phosphonic acid Formula: C21H23N2O6PS MolecularWeight: 462.455881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=CC(=C1)OCCC2=CC=CS2)C(=O)NC3=NC=C(C=C3)P(=O)(O)O

Isomeric SMILES

CC(C)OC1=CC(=CC(=C1)OCCC2=CC=CS2)C(=O)NC3=NC=C(C=C3)P(=O)(O)O

InChI

InChI=1S/C21H23N2O6PS/c1-14(2)29-17-11-15(10-16(12-17)28-8-7-19-4-3-9-31-19)21(24)23-20-6-5-18(13-22-20)30(25,26)27/h3-6,9-14H,7-8H2,1-2H3,(H,22,23,24)(H2,25,26,27)