ditert-butyl 4-(2-chloranyl-6-fluoranyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: ditert-butyl 4-(2-chloranyl-6-fluoranyl-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: ditert-butyl 4-(2-chloro-6-fluoro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-chloro-6-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-(2-chloro-6-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-chloro-6-fluoro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid ditert-butyl ester Formula: C23H29ClFNO4 MolecularWeight: 437.932063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=C(C=CC=C2Cl)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=C(C=CC=C2Cl)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H29ClFNO4/c1-12-16(20(27)29-22(3,4)5)19(18-14(24)10-9-11-15(18)25)17(13(2)26-12)21(28)30-23(6,7)8/h9-11,19,26H,1-8H3