diethyl 4-[3-(3-chloranyl-2-oxidanyl-propoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-[3-(3-chloranyl-2-oxidanyl-propoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-[3-(3-chloro-2-hydroxy-propoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-[3-(3-chloro-2-hydroxypropoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-[3-(3-chloro-2-hydroxypropoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-[3-(3-chloro-2-hydroxy-propoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H28ClNO6 MolecularWeight: 437.91382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)OCC(CCl)O)C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)OCC(CCl)O)C(=O)OCC)C)C

InChI

InChI=1S/C22H28ClNO6/c1-5-28-21(26)18-13(3)24-14(4)19(22(27)29-6-2)20(18)15-8-7-9-17(10-15)30-12-16(25)11-23/h7-10,16,20,24-25H,5-6,11-12H2,1-4H3