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

Systemtic Name: diethyl 5-[(4-methoxyphenyl)methyl]-4H-isoquinoline-3,3-dicarboxylate Openeye Name: diethyl 5-[(4-methoxyphenyl)methyl]-4H-isoquinoline-3,3-dicarboxylate CAS Name: 5-[(4-methoxyphenyl)methyl]-4H-isoquinoline-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(4-methoxyphenyl)methyl]-4H-isoquinoline-3,3-dicarboxylate Traditional Name: 5-p-anisyl-4H-isoquinoline-3,3-dicarboxylic acid diethyl ester Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C(C=CC=C2CC3=CC=C(C=C3)OC)C=N1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC2=C(C=CC=C2CC3=CC=C(C=C3)OC)C=N1)C(=O)OCC

InChI

InChI=1S/C23H25NO5/c1-4-28-21(25)23(22(26)29-5-2)14-20-17(7-6-8-18(20)15-24-23)13-16-9-11-19(27-3)12-10-16/h6-12,15H,4-5,13-14H2,1-3H3