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

Systemtic Name: ditert-butyl (4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl (4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-4-(4-bromophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C23H30BrNO4 MolecularWeight: 464.3926

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

InChI

InChI=1S/C23H30BrNO4/c1-13-17(20(26)28-22(3,4)5)19(15-9-11-16(24)12-10-15)18(14(2)25-13)21(27)29-23(6,7)8/h9-12,17,19H,1-8H3/t17?,19-/m0/s1