dimethyl 6-cyano-2-methyl-7-(2-methylphenyl)-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1,3-dicarboxylate

Systemtic Name: dimethyl 6-cyano-2-methyl-7-(2-methylphenyl)-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1,3-dicarboxylate Openeye Name: dimethyl 6-cyano-2-methyl-7-(o-tolyl)-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1,3-dicarboxylate CAS Name: 6-cyano-2-methyl-7-(2-methylphenyl)-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 6-cyano-2-methyl-7-(2-methylphenyl)-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1,3-dicarboxylate Traditional Name: 6-cyano-2-methyl-7-(o-tolyl)-3,4,4a,5,6,7-hexahydro-1H-isoquinoline-1,3-dicarboxylic acid dimethyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C=C3C(CC2C#N)CC(N(C3C(=O)OC)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2C=C3C(CC2C#N)CC(N(C3C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C22H26N2O4/c1-13-7-5-6-8-16(13)17-11-18-14(9-15(17)12-23)10-19(21(25)27-3)24(2)20(18)22(26)28-4/h5-8,11,14-15,17,19-20H,9-10H2,1-4H3