O3-ethyl O2-methyl 6-[(4-ethoxycarbonylimidazol-1-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-ethyl O2-methyl 6-[(4-ethoxycarbonylimidazol-1-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O3-ethyl O2-methyl 6-[(4-ethoxycarbonylimidazol-1-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: 6-[(4-ethoxycarbonyl-1-imidazolyl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester IUPAC Name: 3-O-ethyl 2-O-methyl 6-[(4-ethoxycarbonylimidazol-1-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: 6-[(4-carbethoxyimidazol-1-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2,3-dicarboxylic acid O3-ethyl ester O2-methyl ester Formula: C21H31N3O6 MolecularWeight: 421.48734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CC(CCC2CN1C(=O)OC)CN3C=C(N=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CC2CC(CCC2CN1C(=O)OC)CN3C=C(N=C3)C(=O)OCC

InChI

InChI=1S/C21H31N3O6/c1-4-29-19(25)17-12-23(13-22-17)10-14-6-7-15-11-24(21(27)28-3)18(9-16(15)8-14)20(26)30-5-2/h12-16,18H,4-11H2,1-3H3