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Methyl 2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-6-indole carboxylate

HCID 13633596
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)[nH]c2c1
InChIKey
DMQOXJLIHXJKHJ-UHFFFAOYSA-N
Molecular formula
C24H27NO2
Average molar mass
361.5 g/mol

Names & identifiers

Preferred name
Methyl 2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-6-indole carboxylate
IUPAC
methyl 2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-6-carboxylate

Names & synonyms

SCHEMBL9132278DMQOXJLIHXJKHJ-UHFFFAOYSA-NMethyl 2-(5, 6, 7, 8-tetrahydro-5, 5, 8, 8-tetramethyl-2-naphthyl)-6-indole carboxylateMethyl 2-(5,6,7,8-tetrahydro-5, 5,8,8-tetramethyl-2-naphthyl)-6-indole carboxylateMethyl 2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthyl)-6-indole carboxylate

Database identifiers

PubChem CID
13633596

Properties

Computed structural properties

XLogP
6.7
Topological polar surface area
42.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
27
Formal charge
0
Complexity
569

Related reactions

6 records
New reaction record
HRID 22373 reaction equation
HRID 22373As reactantuspto-grants-1995_06
HRID 256830 reaction equation
HRID 256830As reactantuspto-grants-1993_11
HRID 345875 reaction equation
HRID 345875As reactantuspto-grants-1991_10
HRID 649604 reaction equation
HRID 649604As reactantuspto-grants-1988_04
HRID 1126964 reaction equation
HRID 1126964As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1975725 reaction equation
HRID 1975725As reactantuspto-grants-1994_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes