Carbamic acid, propyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
Basic information
- CAS
139760-91-1- Standard SMILES
CCC(CC)N(C(=O)O)c1ccc2c(c1)[C@]1(C)CCN[C@@H]1C2.Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1- InChIKey
DWENQLVDMVZGKZ-MGOBSYGQSA-N- Molecular formula
- C38H44N2O10
- Average molar mass
- 688.8 g/mol
- Monoisotopic mass
- 688.2995956
Names & identifiers
- Preferred name
- Carbamic acid, propyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)
- IUPAC
- [(3aR,8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-indeno[2,1-b]pyrrol-7-yl]-pentan-3-ylcarbamic acid;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid
Names & synonyms
139760-91-1Carbamic acid, propyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-, (R-(R*,R*))-2,3-bis((4-methylbenzoyl)oxy)butanedioate (1:1)RefChem:332730DTXSID50930585(2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--[(3aS,8aR)-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl](pentan-3-yl)carbamic acid (1/1)2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl)pentan-3-ylcarbamic acid (1/1)
Database identifiers
- CAS
139760-91-1- PubChem CID
- 3072019
- DTXSID
DTXSID50930585
Properties
Computed structural properties
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 13
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 956
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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