1H-Indole, 2,3-dihydro-3-methyl-1-(3-(4-morpholinyl)propyl)-3-phenyl-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
37126-65-1- Standard SMILES
CC1(c2ccccc2)CN(CCCN2CCOCC2)c2ccccc21.O=C(O)/C=C/C(=O)O- InChIKey
YJNQPVZYGKPCRE-WLHGVMLRSA-N- Molecular formula
- C26H32N2O5
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.23112213
Names & identifiers
- Preferred name
- 1H-Indole, 2,3-dihydro-3-methyl-1-(3-(4-morpholinyl)propyl)-3-phenyl-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;4-[3-(3-methyl-3-phenyl-2H-indol-1-yl)propyl]morpholine
Names & synonyms
1H-Indole, 2,3-dihydro-3-methyl-1-(3-(4-morpholinyl)propyl)-3-phenyl-, (Z)-2-butenedioate (1:1)37126-65-1RefChem:10581542,3-Dihydro-3-methyl-1-(3-(4-morpholinyl)propyl)-3-phenyl-1H-indole maleate
Database identifiers
- CAS
37126-65-1- PubChem CID
- 6445501
Properties
Computed structural properties
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 535
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