Basic information
- Standard SMILES
COc1cccc(C(c2c[nH]c3c2CC=C(C(=O)O)C3)N(C)C)c1OC- InChIKey
IFXPKPSOLUVWQG-UHFFFAOYSA-N- Molecular formula
- C20H24N2O4
- Average molar mass
- 356.4 g/mol
Names & identifiers
- Preferred name
- 3-[(2,3-Dimethoxy-phenyl)-dimethylamino-methyl]-4,7-dihydro-1H-indole-6-carboxylic Acid
- IUPAC
- 3-[(2,3-dimethoxyphenyl)-(dimethylamino)methyl]-4,7-dihydro-1H-indole-6-carboxylic acid
Names & synonyms
SCHEMBL5263975IFXPKPSOLUVWQG-UHFFFAOYSA-N3-[(2,3-Dimethoxy-phenyl)-dimethylamino-methyl]-4,7-dihydro-1H-indole-6-carboxylic Acid
Database identifiers
- PubChem CID
- 21985346
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 536
Related reactions
1 records
Compound notes
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