Basic information
- Standard SMILES
O=C(O)CCCC/C=C(/c1ccccc1)c1cccnc1- InChIKey
UWPBQLKEHGGKKD-BOPFTXTBSA-N- Molecular formula
- C18H19NO2
- Average molar mass
- 281.3 g/mol
Overview
See also: Isbogrel (annotation moved to).
Names & identifiers
- Preferred name
- (Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
- IUPAC
- (Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
Names & synonyms
89667-39-0(6Z)-7-Phenyl-7-(3-Pyridinyl)-6-Heptenoic AcidCHEMBL28196(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid7-PHENYL-7-(PYRIDIN-3-YL)HEPT-6-ENOIC ACIDorb1819083SCHEMBL7766547UWPBQLKEHGGKKD-BOPFTXTBSA-NBDBM50026486TS-09742T77548
Show more names
(Z)-7-(3-pyridyl)-7-phenyl-6-heptenoic acid(Z)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acidEN300-26560807(Z)-7-Phenyl-7-(pyridin-3-yl)hept-6-enoic acid
Database identifiers
- PubChem CID
- 6537201
- Nikkaji
- J607.974A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Related reactions
3 records
Compound notes
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