2-(4-Acetylaminobenzoyloxy)ethyl 2,6-dimethyl-5-ethoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

HCID 20151280
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Basic information

Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOC(=O)c2ccc(NC(C)=O)cc2)C1c1cccc([N+](=O)[O-])c1
InChIKey
YGBDGTXTWDBPKG-UHFFFAOYSA-N
Molecular formula
C28H29N3O9
Average molar mass
551.5 g/mol

Names & identifiers

Preferred name
2-(4-Acetylaminobenzoyloxy)ethyl 2,6-dimethyl-5-ethoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
IUPAC
5-O-[2-(4-acetamidobenzoyl)oxyethyl] 3-O-ethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Names & synonyms

YGBDGTXTWDBPKG-UHFFFAOYSA-N2-(4-acetylaminobenzoyloxy)ethyl 2,6-dimethyl-5-ethoxycarbonyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Database identifiers

PubChem CID
20151280

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
166 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
12
Heavy atoms
40

Related reactions

2 records
New reaction record

Linked notes

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