4-(5,8,8-Trimethyl-7,8-dihydro-naphthalen-2-yl-amino)-benzoic acid ethyl ester

HCID 21024367

Basic information

Standard SMILES
CCOC(=O)c1ccc(Nc2ccc3c(c2)C(C)(C)CC=C3C)cc1
InChIKey
OMEQENGCJSXJJW-UHFFFAOYSA-N
Molecular formula
C22H25NO2
Average molar mass
335.4 g/mol

Names & identifiers

Preferred name
4-(5,8,8-Trimethyl-7,8-dihydro-naphthalen-2-yl-amino)-benzoic acid ethyl ester
IUPAC
ethyl 4-[(5,8,8-trimethyl-7H-naphthalen-2-yl)amino]benzoate

Names & synonyms

SCHEMBL6086102OMEQENGCJSXJJW-UHFFFAOYSA-N4-(5,8,8-Trimethyl-7,8-dihydro-naphthalen-2-yl-amino)-benzoic acid ethyl ester4-(5,8,8-trimethyl-7,8-dihydro-naphthalen-2-ylamino)-benzoic acid ethyl ester

Database identifiers

PubChem CID
21024367

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
25

Related reactions

6 records

Compound notes

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