dimethyl (4aS,8aR)-4a,5,8,8a-tetrahydro-1H-isoquinoline-2,4-dicarboxylate

Systemtic Name: dimethyl (4aS,8aR)-4a,5,8,8a-tetrahydro-1H-isoquinoline-2,4-dicarboxylate Openeye Name: dimethyl (4aS,8aR)-4a,5,8,8a-tetrahydro-1H-isoquinoline-2,4-dicarboxylate CAS Name: (4aS,8aR)-4a,5,8,8a-tetrahydro-1H-isoquinoline-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4aS,8aR)-4a,5,8,8a-tetrahydro-1H-isoquinoline-2,4-dicarboxylate Traditional Name: (4aS,8aR)-4a,5,8,8a-tetrahydro-1H-isoquinoline-2,4-dicarboxylic acid dimethyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(CC2C1CC=CC2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CN(C[C@H]2[C@@H]1CC=CC2)C(=O)OC

InChI

InChI=1S/C13H17NO4/c1-17-12(15)11-8-14(13(16)18-2)7-9-5-3-4-6-10(9)11/h3-4,8-10H,5-7H2,1-2H3/t9-,10-/m0/s1