Isonipecotic acid, 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)-, ethyl ester
Basic information
- CAS
102395-70-0- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(c2ccc(C(=O)CCCN3CC=C(c4ccccc4)CC3)cc2)CC1- InChIKey
TZKLOSMKBJLQIO-UHFFFAOYSA-N- Molecular formula
- C35H40N2O3
- Average molar mass
- 536.7 g/mol
- Monoisotopic mass
- 536.30389314
Names & identifiers
- Preferred name
- Isonipecotic acid, 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)-, ethyl ester
- IUPAC
- ethyl 4-phenyl-1-[4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]phenyl]piperidine-4-carboxylate
- English name
- ISONIPECOTIC ACID, 4-PHENYL-1-(p-(4-(4-PHENYL-1,2,5,6-TETRAHYDRO-1-PYR IDYL)BUTYR
- Molecular formula
- C35H40N2O3
- Molecular weight
- 536.7
Names & synonyms
102395-70-0Ethyl 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)isonipecotateIsonipecotic acid, 4-phenyl-1-(p-(4-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)butyryl)phenyl)-, ethyl esterDTXSID70145018RefChem:349742DTXCID0067509ethyl 4-phenyl-1-[4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]phenyl]piperidine-4-carboxylateethyl 4-phenyl-1-{4-[4-(4-phenyl-3,6-dihydropyridin-1(2h)-yl)butanoyl]phenyl}piperidine-4-carboxylateISONIPECOTIC ACID, 4-PHENYL-1-(p-(4-(4-PHENYL-1,2,5,6-TETRAHYDRO-1-PYR IDYL)BUTYREthyl4-phenyl-1-[4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoyl]phenyl]piperidine-4-carboxylate4-Piperidinecarboxylic acid, 1-[4-[4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-1-oxobutyl]phenyl]-4-phenyl-, ethyl ester
Database identifiers
- CAS
102395-70-0- PubChem CID
- 59335
- DTXSID
DTXSID70145018- Nikkaji
- J86.367J
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 841
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…