Summary

IMPPAT Phytochemical identifier: IMPHY017729

Phytochemical name: Ethyl benzylcarbamate

Synonymous chemical names:
benzyl urethane

External chemical identifiers:
CID:75801, ChEMBL:CHEMBL1491504, ZINC:ZINC000000145618, SureChEMBL:SCHEMBL423344, MolPort-001-781-782

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Chemical structure information

SMILES:
CCOC(=O)NCc1ccccc1

InChI:
InChI=1S/C10H13NO2/c1-2-13-10(12)11-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)

InChIKey:
XSXLCQLOFRENHC-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)NCcccccc6

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

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Phenylalanine-derived alkaloids

NP-Likeness score: -1.051

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Chemical structure download