O3-(2-cyanoethyl) O5-propan-2-yl 4-(2-chloranyl-3-cyano-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-(2-cyanoethyl) O5-propan-2-yl 4-(2-chloranyl-3-cyano-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2-cyanoethyl) O5-isopropyl 4-(2-chloro-3-cyano-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-chloro-3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-propan-2-yl ester IUPAC Name: 3-O-(2-cyanoethyl) 5-O-propan-2-yl 4-(2-chloro-3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-chloro-3-cyano-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-isopropyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC(=C2Cl)C#N)C(=O)OCCC#N

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC(=C2Cl)C#N)C(=O)OCCC#N

InChI

InChI=1S/C22H22ClN3O4/c1-12(2)30-22(28)18-14(4)26-13(3)17(21(27)29-10-6-9-24)19(18)16-8-5-7-15(11-25)20(16)23/h5,7-8,12,19,26H,6,10H2,1-4H3