methyl 2-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(2-cyclohexyl-2-oxidanylidene-ethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-(2-cyclohexyl-2-oxo-acetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(2-cyclohexyl-1,2-dioxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-cyclohexyl-2-oxoacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(2-cyclohexyl-2-keto-acetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C(=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1C(=O)C(=O)C3CCCCC3

InChI

InChI=1S/C19H23NO4/c1-24-19(23)16-11-14-9-5-6-10-15(14)12-20(16)18(22)17(21)13-7-3-2-4-8-13/h5-6,9-10,13,16H,2-4,7-8,11-12H2,1H3