Basic information
- Standard SMILES
O=C(O)CCNC(=O)c1nc(-c2ccccc2)c2cc(Oc3ccccc3)ccc2c1O- InChIKey
YARCNJBDGQYTSQ-UHFFFAOYSA-N- Molecular formula
- C25H20N2O5
- Average molar mass
- 428.4 g/mol
Names & identifiers
- Preferred name
- 3-[(4-Hydroxy-7-phenoxy-1-phenyl-isoquinoline-3-carbonyl)-amino]-propionic acid
- IUPAC
- 3-[(4-hydroxy-7-phenoxy-1-phenylisoquinoline-3-carbonyl)amino]propanoic acid
Names & synonyms
CHEMBL3900786SCHEMBL15268883YARCNJBDGQYTSQ-UHFFFAOYSA-NBDBM241049US9409892, 1443-[(4-Hydroxy-7-phenoxy-1-phenyl-isoquinoline-3-carbonyl)-amino]-propionic acid
Database identifiers
- PubChem CID
- 71735781
- ChEMBL
CHEMBL3900786
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 632
Related reactions
1 records
Compound notes
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