butanedioic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
1006709-49-4- Standard SMILES
CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl.O=C(O)CCC(=O)O- InChIKey
BKAMSNMJKPNJCH-UHFFFAOYSA-N- Molecular formula
- C24H31ClN2O9
- Average molar mass
- 527 g/mol
- Monoisotopic mass
- 526.1718083
Names & identifiers
- Preferred name
- butanedioic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- butanedioic acid;3-O-ethyl 5-O-methyl 2-(2-aminoethoxymethyl)-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL5182205
Database identifiers
- CAS
1006709-49-4- PubChem CID
- 10239487
Properties
Computed structural properties
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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