7-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid

Systemtic Name: 7-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Openeye Name: 7-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid CAS Name: 7-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid IUPAC Name: 7-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Traditional Name: 7-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid Formula: C12H16NO5P MolecularWeight: 285.232901

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=C1C=CC(=C2)CCP(=O)(O)O)C(=O)O

Isomeric SMILES

C1CNC(C2=C1C=CC(=C2)CCP(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H16NO5P/c14-12(15)11-10-7-8(4-6-19(16,17)18)1-2-9(10)3-5-13-11/h1-2,7,11,13H,3-6H2,(H,14,15)(H2,16,17,18)