Basic information
- Standard SMILES
CCOC(=O)Cc1c(Cl)ccc2c1cc(C)n2C(=O)OC- InChIKey
YGGZQPVLOZJNRT-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO4
- Average molar mass
- 309.74 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-4-ethoxycarbonylmethyl-2-methyl-indole-1-carboxylic acid methyl ester
- IUPAC
- methyl 5-chloro-4-(2-ethoxy-2-oxoethyl)-2-methylindole-1-carboxylate
Names & synonyms
SCHEMBL856033YGGZQPVLOZJNRT-UHFFFAOYSA-N5-Chloro-4-ethoxycarbonylmethyl-2-methyl-indole-1-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 66820156
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Related reactions
2 records
Compound notes
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