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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)CCP(=O)(O)O)C(=O)O

Isomeric SMILES

C1C(NCC2=C1C=CC(=C2)CCP(=O)(O)O)C(=O)O

InChI

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