ethyl 1-[1-ethoxy-1,3-bis(oxidanylidene)butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-[1-ethoxy-1,3-bis(oxidanylidene)butan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: ethyl 1-(1-ethoxycarbonyl-2-oxo-propyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-(1-ethoxy-1,3-dioxobutan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethoxy-1,3-dioxobutan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(1-carbethoxy-2-keto-propyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid ethyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C2=CC=CC=C2CCN1C(=O)OCC)C(=O)C

Isomeric SMILES

CCOC(=O)C(C1C2=CC=CC=C2CCN1C(=O)OCC)C(=O)C

InChI

InChI=1S/C18H23NO5/c1-4-23-17(21)15(12(3)20)16-14-9-7-6-8-13(14)10-11-19(16)18(22)24-5-2/h6-9,15-16H,4-5,10-11H2,1-3H3