t-butyl 4-[6-(N-cyclopentylmethylcarbamoyl)-3-(2-methoxycarbonylvinyl)indol-1-ylmethyl]-3-methoxybenzoate
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Basic information
- Standard SMILES
COC(=O)C=Cc1cn(Cc2ccc(C(=O)OC(C)(C)C)cc2OC)c2cc(C(=O)NCC3CCCC3)ccc12- InChIKey
YCJYKTHXIAEUTN-UHFFFAOYSA-N- Molecular formula
- C32H38N2O6
- Average molar mass
- 546.7 g/mol
- Monoisotopic mass
- 546.27298694
Names & identifiers
- Preferred name
- t-butyl 4-[6-(N-cyclopentylmethylcarbamoyl)-3-(2-methoxycarbonylvinyl)indol-1-ylmethyl]-3-methoxybenzoate
- IUPAC
- tert-butyl 4-[[6-(cyclopentylmethylcarbamoyl)-3-(3-methoxy-3-oxoprop-1-enyl)indol-1-yl]methyl]-3-methoxybenzoate
Names & synonyms
SCHEMBL9818317YCJYKTHXIAEUTN-UHFFFAOYSA-Nt-butyl 4-[6-(N-cyclopentylmethylcarbamoyl)-3-(2-methoxycarbonylvinyl)indol-1-ylmethyl]-3-methoxybenzoate
Database identifiers
- PubChem CID
- 54500983
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 908
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Related reactions
4 records
Compound notes
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