5-[(E)-2-phosphonoethenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 5-[(E)-2-phosphonoethenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 5-[(E)-2-phosphonovinyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 5-[(E)-2-phosphonoethenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-[(E)-2-phosphonoethenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 5-[(E)-2-phosphonovinyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C12H14NO5P MolecularWeight: 283.217021

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=CC=CC(=C21)C=CP(=O)(O)O)C(=O)O

Isomeric SMILES

C1C(NCC2=CC=CC(=C21)/C=C/P(=O)(O)O)C(=O)O

InChI

InChI=1S/C12H14NO5P/c14-12(15)11-6-10-8(4-5-19(16,17)18)2-1-3-9(10)7-13-11/h1-5,11,13H,6-7H2,(H,14,15)(H2,16,17,18)/b5-4+