[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Systemtic Name: [2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]phenyl]phosphonic acid Openeye Name: [2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]phenyl]phosphonic acid CAS Name: [2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]phosphonic acid IUPAC Name: [2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]phosphonic acid Traditional Name: [2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]phenyl]phosphonic acid Formula: C17H18NO5P MolecularWeight: 347.302281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC=C3P(=O)(O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC3=CC=CC=C3P(=O)(O)O

InChI

InChI=1S/C17H18NO5P/c19-17(18-10-9-13-5-1-2-6-14(13)11-18)12-23-15-7-3-4-8-16(15)24(20,21)22/h1-8H,9-12H2,(H2,20,21,22)