1-(diethoxyphosphorylmethyl)-3,4-dihydroisoquinoline-1,2-dicarboxylic acid

Systemtic Name: 1-(diethoxyphosphorylmethyl)-3,4-dihydroisoquinoline-1,2-dicarboxylic acid Openeye Name: 1-(diethoxyphosphorylmethyl)-3,4-dihydroisoquinoline-1,2-dicarboxylic acid CAS Name: 1-(diethoxyphosphorylmethyl)-3,4-dihydroisoquinoline-1,2-dicarboxylic acid IUPAC Name: 1-(diethoxyphosphorylmethyl)-3,4-dihydroisoquinoline-1,2-dicarboxylic acid Traditional Name: 1-(diethoxyphosphorylmethyl)-3,4-dihydroisoquinoline-1,2-dicarboxylic acid Formula: C16H22NO7P MolecularWeight: 371.322141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1(C2=CC=CC=C2CCN1C(=O)O)C(=O)O)OCC

Isomeric SMILES

CCOP(=O)(CC1(C2=CC=CC=C2CCN1C(=O)O)C(=O)O)OCC

InChI

InChI=1S/C16H22NO7P/c1-3-23-25(22,24-4-2)11-16(14(18)19)13-8-6-5-7-12(13)9-10-17(16)15(20)21/h5-8H,3-4,9-11H2,1-2H3,(H,18,19)(H,20,21)