7-diethoxyphosphoryl-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid

Systemtic Name: 7-diethoxyphosphoryl-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Openeye Name: 7-diethoxyphosphoryl-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid CAS Name: 7-diethoxyphosphoryl-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid IUPAC Name: 7-diethoxyphosphoryl-2-ethoxycarbonyl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Traditional Name: 2-carbethoxy-7-diethoxyphosphoryl-1-methyl-3,4-dihydroisoquinoline-1-carboxylic acid Formula: C18H26NO7P MolecularWeight: 399.375301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26NO7P/c1-5-24-17(22)19-11-10-13-8-9-14(27(23,25-6-2)26-7-3)12-15(13)18(19,4)16(20)21/h8-9,12H,5-7,10-11H2,1-4H3,(H,20,21)