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[[1-([1,1'-biphenyl]-2-ylmethyl)-2-cyclopropyl-1H-indol-4-yl]oxy]acetic acid methyl ester

HCID 10501774
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)COc1cccc2c1cc(C1CC1)n2Cc1ccccc1-c1ccccc1
InChIKey
UGVRFDXJRLXQTF-UHFFFAOYSA-N
Molecular formula
C27H25NO3
Average molar mass
411.5 g/mol

Names & identifiers

Preferred name
[[1-([1,1'-biphenyl]-2-ylmethyl)-2-cyclopropyl-1H-indol-4-yl]oxy]acetic acid methyl ester
IUPAC
methyl 2-[2-cyclopropyl-1-[(2-phenylphenyl)methyl]indol-4-yl]oxyacetate

Names & synonyms

SCHEMBL2156844UGVRFDXJRLXQTF-UHFFFAOYSA-N[[1-([1,1'-biphenyl]-2-ylmethyl)-2-cyclopropyl-1H-indol-4-yl]oxy]acetic acid methyl ester

Database identifiers

PubChem CID
10501774

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
40.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
31
Formal charge
0
Complexity
599

Related reactions

6 records
New reaction record
HRID 3379 reaction equation
HRID 3379As productuspto-grants-1998_03
HRID 147669 reaction equation
HRID 147669As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 566681 reaction equation
HRID 566681As productuspto-grants-2001_01
HRID 581156 reaction equation
HRID 581156As productuspto-grants-1999_07
HRID 581438 reaction equation
HRID 581438As productuspto-grants-1999_07
HRID 2256257 reaction equation
HRID 2256257As productuspto-grants-1997_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes