methyl (3R)-2-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(2-keto-1,3-benzoxazol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C20H18N2O5/c1-26-19(24)16-10-13-6-2-3-7-14(13)11-21(16)18(23)12-22-15-8-4-5-9-17(15)27-20(22)25/h2-9,16H,10-12H2,1H3/t16-/m1/s1