methyl (3S)-2-(2-methoxy-2-oxidanylidene-ethanoyl)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-(2-methoxy-2-oxidanylidene-ethanoyl)-7-oxidanyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-7-hydroxy-2-(2-methoxy-2-oxo-acetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-7-hydroxy-2-(2-methoxy-1,2-dioxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-7-hydroxy-2-(2-methoxy-2-oxoacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-7-hydroxy-2-methoxalyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C14H15NO6 MolecularWeight: 293.272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(CN1C(=O)C(=O)OC)C=C(C=C2)O

Isomeric SMILES

COC(=O)[C@@H]1CC2=C(CN1C(=O)C(=O)OC)C=C(C=C2)O

InChI

InChI=1S/C14H15NO6/c1-20-13(18)11-6-8-3-4-10(16)5-9(8)7-15(11)12(17)14(19)21-2/h3-5,11,16H,6-7H2,1-2H3/t11-/m0/s1