dimethyl isoquinoline-1,4-dicarboxylate

Systemtic Name: dimethyl isoquinoline-1,4-dicarboxylate Openeye Name: dimethyl isoquinoline-1,4-dicarboxylate CAS Name: isoquinoline-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl isoquinoline-1,4-dicarboxylate Traditional Name: isoquinoline-1,4-dicarboxylic acid dimethyl ester Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)C(=O)OC

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C13H11NO4/c1-17-12(15)10-7-14-11(13(16)18-2)9-6-4-3-5-8(9)10/h3-7H,1-2H3