U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C17H23N2O3
Molecular Weight 303.3761
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge -1

SHOW SMILES / InChI
Structure of 2-ETHYLHEXYL(5-ISOCYANATO-2-METHYLPHENYL)CARBAMATE

SMILES

CCCCC(CC)CN(C([O-])=O)C1=CC(=CC=C1C)N=C=O

InChI

InChIKey=LZRKKEQRECKHMM-UHFFFAOYSA-M
InChI=1S/C17H24N2O3/c1-4-6-7-14(5-2)11-19(17(21)22)16-10-15(18-12-20)9-8-13(16)3/h8-10,14H,4-7,11H2,1-3H3,(H,21,22)/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
2-ETHYLHEXYL(5-ISOCYANATO-2-METHYLPHENYL)CARBAMATE
Systematic Name English
Code System Code Type Description
FDA UNII
03JL5G6468
Created by admin on Sat Dec 16 08:02:19 GMT 2023 , Edited by admin on Sat Dec 16 08:02:19 GMT 2023
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PUBCHEM
139033522
Created by admin on Sat Dec 16 08:02:19 GMT 2023 , Edited by admin on Sat Dec 16 08:02:19 GMT 2023
PRIMARY