5-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-(2-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 5-(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)11-6-10-8(4-5-19(16,17)18)2-1-3-9(10)7-13-11/h1-3,11,13H,4-7H2,(H,14,15)(H2,16,17,18)