5-(3-Phenyloxypropyl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

HCID 69590637
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Basic information

Standard SMILES
CC1=C(C(=O)OCCC#N)C(c2cccc(Cl)c2)C(C(=O)OCCCOc2ccccc2)=C(C)N1
InChIKey
CGLJGMUUAFHCQG-UHFFFAOYSA-N
Molecular formula
C27H27ClN2O5
Average molar mass
495 g/mol

Names & identifiers

Preferred name
5-(3-Phenyloxypropyl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC
5-O-(2-cyanoethyl) 3-O-(3-phenoxypropyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Names & synonyms

SCHEMBL5858236CGLJGMUUAFHCQG-UHFFFAOYSA-N5-(3-phenyloxypropyl) 3-(2-cyanoethyl) 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Database identifiers

PubChem CID
69590637

Properties

Computed structural properties

XLogP
5
Topological polar surface area
97.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
35

Related reactions

2 records
New reaction record

Linked notes

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