Basic information
- CAS
86811-46-3- Standard SMILES
COc1ccc2c(c1)c(CC(=O)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1- InChIKey
HSTCMJJFYYQQRG-UHFFFAOYSA-N- Molecular formula
- C33H24ClNO8
- Average molar mass
- 598 g/mol
- Monoisotopic mass
- 597.1190444
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-((2-Carboxyphenoxy)carbonyl)phenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
- IUPAC
- 2-[2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxybenzoyl]oxybenzoic acid
- English name
- 2-((2-carboxyphenoxy)carbonyl)phenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetate
- Molecular formula
- C33H24ClNO8
- Molecular weight
- 598
Names & synonyms
86811-46-3TB-2202-((2-Carboxyphenoxy)carbonyl)phenyl-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetateRefChem:836611H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[(2-carboxyphenoxy)carbonyl]phenyl esterTB 2201H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-((2-carboxyphenoxy)carbonyl)phenyl ester(2-((2-Carboxyphenoxy)carbonyl)phenyl)-1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetateDTXSID7073694SCHEMBL111489581H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-2-((2-carboxyphenoxy)carbonyl)phenyl ester2-{[2-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)benzoyl]oxy}benzoic acid
Show more names
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetic acid 2-[(2-carboxyphenoxy)carbonyl]phenyl ester
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Density
- 1.165 · 1.1650 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- EPA Substance Registry System
- 1 H-Indole-3-acetic · 1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[(2-carboxyphenoxy)carbonyl]phenyl ester (86811-46-3)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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