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Details

Stereochemistry RACEMIC
Molecular Formula C18H20ClNO3
Molecular Weight 333.809
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 6-(2-chlorophenyl)-3,4,6,7-tetrahydro-8-methyl-2H-1,4-benzoxazine-5-carboxylate

SMILES

CCOC(=O)C1=C2NCCOC2=C(C)CC1C3=CC=CC=C3Cl

InChI

InChIKey=ZXORKHNCIMUVML-UHFFFAOYSA-N
InChI=1S/C18H20ClNO3/c1-3-22-18(21)15-13(12-6-4-5-7-14(12)19)10-11(2)17-16(15)20-8-9-23-17/h4-7,13,20H,3,8-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H20ClNO3
Molecular Weight 333.809
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:10:10 GMT 2025
Edited
by admin
on Wed Apr 02 17:10:10 GMT 2025
Record UNII
9JHS427M77
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1,4-Benzoxazine-5-carboxylic acid, 6-(2-chlorophenyl)-3,4,6,7-tetrahydro-8-methyl-, ethyl ester
Preferred Name English
Ethyl 6-(2-chlorophenyl)-3,4,6,7-tetrahydro-8-methyl-2H-1,4-benzoxazine-5-carboxylate
Systematic Name English
Code System Code Type Description
CAS
1621516-91-3
Created by admin on Wed Apr 02 17:10:10 GMT 2025 , Edited by admin on Wed Apr 02 17:10:10 GMT 2025
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FDA UNII
9JHS427M77
Created by admin on Wed Apr 02 17:10:10 GMT 2025 , Edited by admin on Wed Apr 02 17:10:10 GMT 2025
PRIMARY
PUBCHEM
165428959
Created by admin on Wed Apr 02 17:10:10 GMT 2025 , Edited by admin on Wed Apr 02 17:10:10 GMT 2025
PRIMARY