diethyl 5-(4-methoxyphenyl)-4H-isoquinoline-3,3-dicarboxylate

Systemtic Name: diethyl 5-(4-methoxyphenyl)-4H-isoquinoline-3,3-dicarboxylate Openeye Name: diethyl 5-(4-methoxyphenyl)-4H-isoquinoline-3,3-dicarboxylate CAS Name: 5-(4-methoxyphenyl)-4H-isoquinoline-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(4-methoxyphenyl)-4H-isoquinoline-3,3-dicarboxylate Traditional Name: 5-(4-methoxyphenyl)-4H-isoquinoline-3,3-dicarboxylic acid diethyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C=CC=C2C=N1)C3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2=C(C=CC=C2C=N1)C3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C22H23NO5/c1-4-27-20(24)22(21(25)28-5-2)13-19-16(14-23-22)7-6-8-18(19)15-9-11-17(26-3)12-10-15/h6-12,14H,4-5,13H2,1-3H3