3-Cyano-4-(2-methylphenyl)-1-(3-(1-naphthyloxy)propyl)-1h-indole-2-carboxylic acid
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Basic information
- Standard SMILES
Cc1ccccc1-c1cccc2c1c(C#N)c(C(=O)O)n2CCCOc1cccc2ccccc12- InChIKey
BUKFUUGSJCLRGO-UHFFFAOYSA-N- Molecular formula
- C30H24N2O3
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- 3-Cyano-4-(2-methylphenyl)-1-(3-(1-naphthyloxy)propyl)-1h-indole-2-carboxylic acid
- IUPAC
- 3-cyano-4-(2-methylphenyl)-1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid
Names & synonyms
SCHEMBL2202319BUKFUUGSJCLRGO-UHFFFAOYSA-N3-cyano-4-(2-methylphenyl)-1-(3-(1-naphthyloxy)propyl)-1h-indole-2-carboxylic acid
Database identifiers
- PubChem CID
- 67315411
Properties
Computed structural propertiesFilling in
- XLogP
- 6.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 777
Related reactions
2 records
Compound notes
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