5-[ethoxy(oxidanyl)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 5-[ethoxy(oxidanyl)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 5-[ethoxy(hydroxy)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 5-[ethoxy(hydroxy)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 5-[ethoxy(hydroxy)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 5-[ethoxy(hydroxy)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C12H16NO5P MolecularWeight: 285.232901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO5P/c1-2-18-19(16,17)11-5-3-4-8-7-13-10(12(14)15)6-9(8)11/h3-5,10,13H,2,6-7H2,1H3,(H,14,15)(H,16,17)