O3-ethyl O2-methyl (3S,4aS,8aR)-6-[(E)-1-cyanoprop-1-en-2-yl]-3,4,4a,7,8,8a-hexahydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-methyl (3S,4aS,8aR)-6-[(E)-1-cyanoprop-1-en-2-yl]-3,4,4a,7,8,8a-hexahydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O3-ethyl O2-methyl (3S,4aS,8aR)-6-[(E)-2-cyano-1-methyl-vinyl]-3,4,4a,7,8,8a-hexahydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3S,4aS,8aR)-6-[(E)-1-cyanoprop-1-en-2-yl]-3,4,4a,7,8,8a-hexahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester IUPAC Name: 3-O-ethyl 2-O-methyl (3S,4aS,8aR)-6-[(E)-1-cyanoprop-1-en-2-yl]-3,4,4a,7,8,8a-hexahydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3S,4aS,8aR)-6-[(E)-2-cyano-1-methyl-vinyl]-3,4,4a,7,8,8a-hexahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2C=C(CCC2CN1C(=O)OC)C(=CC#N)C

Isomeric SMILES

CCOC(=O)[C@@H]1C[C@H]2C=C(CC[C@H]2CN1C(=O)OC)/C(=C/C#N)/C

InChI

InChI=1S/C18H24N2O4/c1-4-24-17(21)16-10-15-9-13(12(2)7-8-19)5-6-14(15)11-20(16)18(22)23-3/h7,9,14-16H,4-6,10-11H2,1-3H3/b12-7+/t14-,15+,16-/m0/s1