diethyl (4S)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H26BrNO6 MolecularWeight: 468.33824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[C@@H]2C(C(=NC(=C2C(=O)OCC)C)C)C(=O)OCC)Br)O

InChI

InChI=1S/C21H26BrNO6/c1-6-27-15-10-13(9-14(22)19(15)24)18-16(20(25)28-7-2)11(4)23-12(5)17(18)21(26)29-8-3/h9-10,16,18,24H,6-8H2,1-5H3/t16?,18-/m1/s1