2-(diethoxyphosphorylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: 2-(diethoxyphosphorylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: 2-(diethoxyphosphorylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 2-[diethoxyphosphorylmethoxy(oxo)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate IUPAC Name: 2-(diethoxyphosphorylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 2-(diethoxyphosphorylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate Formula: C16H21NO7P- MolecularWeight: 370.314201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(COC(=O)N1CCC2=CC=CC=C2C1C(=O)[O-])OCC

InChI

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