O3-ethyl O2-methyl 6-(2-cyanoethyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-methyl 6-(2-cyanoethyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O3-ethyl O2-methyl 6-(2-cyanoethyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: 6-(2-cyanoethyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester IUPAC Name: 3-O-ethyl 2-O-methyl 6-(2-cyanoethyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: 6-(2-cyanoethyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=C(CN1C(=O)OC)C=CC(=C2)CCC#N

Isomeric SMILES

CCOC(=O)C1CC2=C(CN1C(=O)OC)C=CC(=C2)CCC#N

InChI

InChI=1S/C17H20N2O4/c1-3-23-16(20)15-10-14-9-12(5-4-8-18)6-7-13(14)11-19(15)17(21)22-2/h6-7,9,15H,3-5,10-11H2,1-2H3