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

Systemtic Name: (3R)-2-(1,2-oxazol-5-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(isoxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[5-isoxazolyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(1,2-oxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(isoxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C14H11N2O4- MolecularWeight: 271.24814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC=NO3)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)C3=CC=NO3)C(=O)[O-]

InChI

InChI=1S/C14H12N2O4/c17-13(12-5-6-15-20-12)16-8-10-4-2-1-3-9(10)7-11(16)14(18)19/h1-6,11H,7-8H2,(H,18,19)/p-1/t11-/m1/s1