[2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]phosphonic acid

Systemtic Name: [2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]phosphonic acid Openeye Name: [2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]phosphonic acid CAS Name: [2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phosphonic acid IUPAC Name: [2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phosphonic acid Traditional Name: [2-keto-2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phosphonic acid Formula: C12H16NO5P MolecularWeight: 285.232901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)C(=O)CP(=O)(O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)C(=O)CP(=O)(O)O)C=C1

InChI

InChI=1S/C12H16NO5P/c1-18-11-3-2-10-7-13(5-4-9(10)6-11)12(14)8-19(15,16)17/h2-3,6H,4-5,7-8H2,1H3,(H2,15,16,17)