ditert-butyl (4S)-4-(4-cyanophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl (4S)-4-(4-cyanophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4S)-4-(4-cyanophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(4-cyanophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4S)-4-(4-cyanophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(4-cyanophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)C#N)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C24H30N2O4/c1-14-18(21(27)29-23(3,4)5)20(17-11-9-16(13-25)10-12-17)19(15(2)26-14)22(28)30-24(6,7)8/h9-12,18,20H,1-8H3/t18?,20-/m1/s1