Basic information
- Standard SMILES
CCOC(=O)C1=C(CCC(N)c2ccccc2)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1- InChIKey
XKFAJXULQFRVRO-UHFFFAOYSA-N- Molecular formula
- C26H29N3O6
- Average molar mass
- 479.5 g/mol
Names & identifiers
- Preferred name
- 2-(3-Phenyl-3-aminopropyl)-3-carboethoxy-5-carbomethoxy-6-methyl-4-(m-nitrophenyl)-1,4-dihydropyridine
- IUPAC
- 3-O-ethyl 5-O-methyl 2-(3-amino-3-phenylpropyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL7431696XKFAJXULQFRVRO-UHFFFAOYSA-N2-(3-phenyl-3-aminopropyl)-3-carboethoxy-5-carbomethoxy-6-methyl-4-(m-nitrophenyl)-1,4-dihydropyridine
Database identifiers
- PubChem CID
- 19980476
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 856
Related reactions
2 records
Compound notes
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