Basic information
- Standard SMILES
CCC(CC)CNC(=O)c1ccc2cccc(Cc3ccc(C(=O)OC)cc3OC)c2c1- InChIKey
OXTUWRGVPDPBRN-UHFFFAOYSA-N- Molecular formula
- C27H31NO4
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.22530847
Names & identifiers
- Preferred name
- Methyl 4-(7-(2-ethylbutylcarbamoyl)naphth-1-ylmethyl)-3-methoxybenzoate
- IUPAC
- methyl 4-[[7-(2-ethylbutylcarbamoyl)naphthalen-1-yl]methyl]-3-methoxybenzoate
Names & synonyms
methyl 4-(7-(2-ethylbutylcarbamoyl)naphth-1-ylmethyl)-3-methoxybenzoatemethyl 4-[7-(2-ethylbutylcarbamoyl)naphth-1-ylmethyl]-3-methoxybenzoateSCHEMBL9633708OXTUWRGVPDPBRN-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19906363
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 604
Related reactions
4 records
Compound notes
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