methyl (3R)-2-[2-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(6-chloro-2-keto-1,3-benzoxazol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C20H17ClN2O5/c1-27-19(25)16-8-12-4-2-3-5-13(12)10-22(16)18(24)11-23-15-7-6-14(21)9-17(15)28-20(23)26/h2-7,9,16H,8,10-11H2,1H3/t16-/m1/s1