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

Systemtic Name: [6-[(3-propan-2-yloxy-5-propoxy-phenyl)carbonylamino]pyridin-3-yl]phosphonic acid Openeye Name: [6-[(3-isopropoxy-5-propoxy-benzoyl)amino]-3-pyridyl]phosphonic acid CAS Name: [6-[[oxo-(3-propan-2-yloxy-5-propoxyphenyl)methyl]amino]-3-pyridinyl]phosphonic acid IUPAC Name: [6-[(3-propan-2-yloxy-5-propoxybenzoyl)amino]pyridin-3-yl]phosphonic acid Traditional Name: [6-[(3-isopropoxy-5-propoxy-benzoyl)amino]-3-pyridyl]phosphonic acid Formula: C18H23N2O6P MolecularWeight: 394.358781

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=CC(=C1)C(=O)NC2=NC=C(C=C2)P(=O)(O)O)OC(C)C

Isomeric SMILES

CCCOC1=CC(=CC(=C1)C(=O)NC2=NC=C(C=C2)P(=O)(O)O)OC(C)C

InChI

InChI=1S/C18H23N2O6P/c1-4-7-25-14-8-13(9-15(10-14)26-12(2)3)18(21)20-17-6-5-16(11-19-17)27(22,23)24/h5-6,8-12H,4,7H2,1-3H3,(H,19,20,21)(H2,22,23,24)