dihexadecyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dihexadecyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dihexadecyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dihexadecyl ester IUPAC Name: dihexadecyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid dicetyl ester Formula: C47H79NO4 MolecularWeight: 722.13446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCCCCCC)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCCCCCC)C)C

InChI

InChI=1S/C47H79NO4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-51-46(49)43-40(3)48-41(4)44(45(43)42-36-32-31-33-37-42)47(50)52-39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-33,36-37,45,48H,5-30,34-35,38-39H2,1-4H3