Summary

IMPPAT Phytochemical identifier: IMPHY017771

Phytochemical name: Methyl 2-(dimethylamino)benzoate

Synonymous chemical names:
methyl-n,n-dimethyl-anthranilate

External chemical identifiers:
CID:82336, ZINC:ZINC000001632744, FDASRS:77LQP0681T, SureChEMBL:SCHEMBL43644, MolPort-006-119-260

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Chemical structure information

SMILES:
COC(=O)c1ccccc1N(C)C

InChI:
InChI=1S/C10H13NO2/c1-11(2)9-7-5-4-6-8(9)10(12)13-3/h4-7H,1-3H3

InChIKey:
ZCNSBHAIPOWHJE-UHFFFAOYSA-N

DeepSMILES:
COC=O)cccccc6NC)C

Functional groups:
cC(=O)OC, cN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Anthranillic acid derivatives

NP-Likeness score: -0.968

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Chemical structure download