ditert-butyl (4R)-4-(4-tert-butylphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl (4R)-4-(4-tert-butylphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4R)-4-(4-tert-butylphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-4-(4-tert-butylphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4R)-4-(4-tert-butylphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-4-(4-tert-butylphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C27H39NO4 MolecularWeight: 441.60286

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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(C)(C)C)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(C)(C)C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C27H39NO4/c1-16-20(23(29)31-26(6,7)8)22(18-12-14-19(15-13-18)25(3,4)5)21(17(2)28-16)24(30)32-27(9,10)11/h12-15,20,22H,1-11H3/t20?,22-/m0/s1