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

Systemtic Name: 5-(1-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 5-(1-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 5-(1-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-(1-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 5-(1-phosphonoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C12H16NO5P MolecularWeight: 285.232901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1CC(NC2)C(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C1=CC=CC2=C1CC(NC2)C(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H16NO5P/c1-7(19(16,17)18)9-4-2-3-8-6-13-11(12(14)15)5-10(8)9/h2-4,7,11,13H,5-6H2,1H3,(H,14,15)(H2,16,17,18)