Summary

IMPPAT Phytochemical identifier: IMPHY006156

Phytochemical name: Ethyl N-phenylcarbamate

Synonymous chemical names:
phenylurethan

External chemical identifiers:
CID:7591, ChEMBL:CHEMBL2235373, ZINC:ZINC000012416739, FDASRS:TWP7W286IF, SureChEMBL:SCHEMBL264865, MolPort-001-798-205

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Chemical structure information

SMILES:
CCOC(=O)Nc1ccccc1

InChI:
InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)

InChIKey:
LBKPGNUOUPTQKA-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)Ncccccc6

Functional groups:
cNC(=O)OC

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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: Phenylcarbamic acid esters

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Small peptides

NP Classifier Class: Aminoacids

NP-Likeness score: -1.326

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Chemical structure download