diethyl 6-phenoxy-4H-isoquinoline-3,3-dicarboxylate

Systemtic Name: diethyl 6-phenoxy-4H-isoquinoline-3,3-dicarboxylate Openeye Name: diethyl 6-phenoxy-4H-isoquinoline-3,3-dicarboxylate CAS Name: 6-phenoxy-4H-isoquinoline-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-phenoxy-4H-isoquinoline-3,3-dicarboxylate Traditional Name: 6-phenoxy-4H-isoquinoline-3,3-dicarboxylic acid diethyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C=CC(=C2)OC3=CC=CC=C3)C=N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2=C(C=CC(=C2)OC3=CC=CC=C3)C=N1)C(=O)OCC

InChI

InChI=1S/C21H21NO5/c1-3-25-19(23)21(20(24)26-4-2)13-16-12-18(11-10-15(16)14-22-21)27-17-8-6-5-7-9-17/h5-12,14H,3-4,13H2,1-2H3