Basic information
- CAS
6368-52-1- Standard SMILES
CCOc1ccc(C2C(C(=O)OC)=CNC=C2C(=O)OC)cc1- InChIKey
LSHZZZXMBXJLKJ-UHFFFAOYSA-N- Molecular formula
- C17H19NO5
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.12632271
Names & identifiers
- Preferred name
- ST052232
- IUPAC
- dimethyl 4-(4-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
6368-52-1ST052232DTXSID20345804RefChem:381405DTXCID70296877dimethyl 4-(4-ethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylateDimethyl 4-(4-ethoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylateCBMicro_021832SCHEMBL3767215LSHZZZXMBXJLKJ-UHFFFAOYSA-NCCG-14912STK364177
Show more names
AKOS001634883BIM-0022032.P001EU-0040725AG-205/15157591SR-01000456000SR-01000456000-1Dimethyl 4-(4-ethoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate #4-(4-Ethoxy-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
Database identifiers
- CAS
6368-52-1- PubChem CID
- 607222
- DTXSID
DTXSID20345804
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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