(3R)-2-(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(2,3-dihydro-p-dioxin-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H14NO5- MolecularWeight: 288.27536

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=CO1)C(=O)N2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

C1COC(=CO1)C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)[O-]

InChI

InChI=1S/C15H15NO5/c17-14(13-9-20-5-6-21-13)16-8-11-4-2-1-3-10(11)7-12(16)15(18)19/h1-4,9,12H,5-8H2,(H,18,19)/p-1/t12-/m1/s1