94022-79-4 Purity
96%
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The molecular formula is C17H21NO2.
The IUPAC Name is methyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate.
The InChIKey is NAMUVRSTEVMHAJ-UHFFFAOYSA-N.
The Canonical SMILES is CC1CC(CC(=C1)C)C=NC2=CC=CC=C2C(=O)OC.
The exact mass is 271.157228913 g/mol.
The compound has 3 hydrogen bond acceptors.
The compound has 4 rotatable bonds.
The topological polar surface area is 38.7 Ų.
The compound has 0 defined atom stereocenters.
Yes, the compound is canonicalized.