1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester
Basic information
- CAS
76410-18-9- Standard SMILES
CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC3CO3)cc12- InChIKey
BHHSMTHNBZAXQA-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Names & identifiers
- Preferred name
- 1H-Indole-3-carboxylic acid, 2-methyl-5-(oxiranylmethoxy)-1-phenyl-, ethyl ester
- IUPAC
- ethyl 2-methyl-5-(oxiran-2-ylmethoxy)-1-phenylindole-3-carboxylate
- English name
- 2-Methyl-5-oxiranylmethoxy-1-phenyl-1H-indole-3-carboxylic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
BRN 511745576410-18-92-Methyl-5-(oxiranylmethoxy)-1-phenyl-1H-indole-3-carboxylic acid ethyl ester1H-INDOLE-3-CARBOXYLIC ACID, 2-METHYL-5-(OXIRANYLMETHOXY)-1-PHENYL-, ETHYL ESTERRefChem:239092DTXSID80997787Ethyl 2-methyl-5-[(oxiran-2-yl)methoxy]-1-phenyl-1H-indole-3-carboxylate2-Methyl-5-oxiranylmethoxy-1-phenyl-1H-indole-3-carboxylic acid ethyl ester
Database identifiers
- CAS
76410-18-9- PubChem CID
- 53482
- DTXSID
DTXSID80997787- Nikkaji
- J62.662G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 492
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Related reactions
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Compound notes
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