(3-ethoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)phosphonic acid

Systemtic Name: (3-ethoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)phosphonic acid Openeye Name: (3-ethoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)phosphonic acid CAS Name: (3-ethoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)phosphonic acid IUPAC Name: (3-ethoxycarbonyl-1,2,3,4-tetrahydroisoquinolin-5-yl)phosphonic acid Traditional Name: (3-carbethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)phosphonic acid Formula: C12H16NO5P MolecularWeight: 285.232901

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CN1)C=CC=C2P(=O)(O)O

Isomeric SMILES

CCOC(=O)C1CC2=C(CN1)C=CC=C2P(=O)(O)O

InChI

InChI=1S/C12H16NO5P/c1-2-18-12(14)10-6-9-8(7-13-10)4-3-5-11(9)19(15,16)17/h3-5,10,13H,2,6-7H2,1H3,(H2,15,16,17)