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Details

Stereochemistry MIXED
Molecular Formula C20H22ClNO5
Molecular Weight 391.845
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

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

SMILES

CCOC(=O)C1=C2NCCOC2=C(C)C(C1C3=CC=CC=C3Cl)C(=O)OC

InChI

InChIKey=ZTKBXGUJDFQQPS-UHFFFAOYSA-N
InChI=1S/C20H22ClNO5/c1-4-26-20(24)16-15(12-7-5-6-8-13(12)21)14(19(23)25-3)11(2)18-17(16)22-9-10-27-18/h5-8,14-15,22H,4,9-10H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
5-Ethyl 7-methyl 6-(2-chlorophenyl)-3,4,6,7-tetrahydro-8-methyl-2H-1,4-benzoxazine-5,7-dicarboxylate
Systematic Name English
2H-1,4-Benzoxazine-5,7-dicarboxylic acid, 6-(2-chlorophenyl)-3,4,6,7-tetrahydro-8-methyl-, 5-ethyl 7-methyl ester
Preferred Name English
Code System Code Type Description
CAS
496024-43-2
Created by admin on Wed Apr 02 17:17:23 GMT 2025 , Edited by admin on Wed Apr 02 17:17:23 GMT 2025
PRIMARY
FDA UNII
5ZL99PZY92
Created by admin on Wed Apr 02 17:17:23 GMT 2025 , Edited by admin on Wed Apr 02 17:17:23 GMT 2025
PRIMARY
PUBCHEM
20612541
Created by admin on Wed Apr 02 17:17:23 GMT 2025 , Edited by admin on Wed Apr 02 17:17:23 GMT 2025
PRIMARY
NIH
NCATS
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