diethyl (4S)-4-(3-iodanylphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-4-(3-iodanylphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-4-(3-iodophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(3-iodophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-4-(3-iodophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(3-iodophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H22INO4 MolecularWeight: 455.28675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC(=CC=C2)I

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(N=C1C)C)C(=O)OCC)C2=CC(=CC=C2)I

InChI

InChI=1S/C19H22INO4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-8-7-9-14(20)10-13/h7-10,15,17H,5-6H2,1-4H3/t15?,17-/m1/s1