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

Systemtic Name: O3-(2-cyanoethyl) O5-propan-2-yl 4-(3-iodanylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-(2-cyanoethyl) O5-isopropyl 4-(3-iodophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-iodophenyl)-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-(3-iodophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-iodophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-cyanoethyl) ester O5-isopropyl ester Formula: C21H23IN2O4 MolecularWeight: 494.32279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23IN2O4/c1-12(2)28-21(26)18-14(4)24-13(3)17(20(25)27-10-6-9-23)19(18)15-7-5-8-16(22)11-15/h5,7-8,11-12,19,24H,6,10H2,1-4H3