diethyl 6-azanyl-5,7-dicyano-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate

Systemtic Name: diethyl 6-azanyl-5,7-dicyano-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate Openeye Name: diethyl 6-amino-5,7-dicyano-8-(p-tolyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate CAS Name: 6-amino-5,7-dicyano-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylic acid diethyl ester IUPAC Name: diethyl 6-amino-5,7-dicyano-8-(4-methylphenyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylate Traditional Name: 6-amino-5,7-dicyano-8-(p-tolyl)-1,3,8,8a-tetrahydroisoquinoline-2,7-dicarboxylic acid diethyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C2CN(CC=C2C(=C1N)C#N)C(=O)OCC)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCOC(=O)C1(C(C2CN(CC=C2C(=C1N)C#N)C(=O)OCC)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C24H26N4O4/c1-4-31-22(29)24(14-26)20(16-8-6-15(3)7-9-16)19-13-28(23(30)32-5-2)11-10-17(19)18(12-25)21(24)27/h6-10,19-20H,4-5,11,13,27H2,1-3H3