7-(diethoxyphosphorylmethyl)-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid

Systemtic Name: 7-(diethoxyphosphorylmethyl)-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Openeye Name: 7-(diethoxyphosphorylmethyl)-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid CAS Name: 7-(diethoxyphosphorylmethyl)-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid IUPAC Name: 7-(diethoxyphosphorylmethyl)-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Traditional Name: 2-carbethoxy-7-(diethoxyphosphorylmethyl)-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Formula: C19H28NO7P MolecularWeight: 413.401881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(C1(C)C(=O)O)C=C(C=C2)CP(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)N1CCC2=C(C1(C)C(=O)O)C=C(C=C2)CP(=O)(OCC)OCC

InChI

InChI=1S/C19H28NO7P/c1-5-25-18(23)20-11-10-15-9-8-14(12-16(15)19(20,4)17(21)22)13-28(24,26-6-2)27-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,21,22)