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

Details

Stereochemistry UNKNOWN
Molecular Formula C19H29NO3
Molecular Weight 319.4385
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(3-HYDROXY-4-METHOXYPHENYL )-2-ISOPROPYL-5,5-DIMETHYLCYCLOHEXANECARBOXAMIDE

SMILES

COC1=C(O)C=C(NC(=O)[C@H]2CC(C)(C)CC[C@@H]2C(C)C)C=C1

InChI

InChIKey=FSTIPIUBKPAVGS-CABCVRRESA-N
InChI=1S/C19H29NO3/c1-12(2)14-8-9-19(3,4)11-15(14)18(22)20-13-6-7-17(23-5)16(21)10-13/h6-7,10,12,14-15,21H,8-9,11H2,1-5H3,(H,20,22)/t14-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H29NO3
Molecular Weight 319.4385
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:35:13 GMT 2023
Edited
by admin
on Sat Dec 16 14:35:13 GMT 2023
Record UNII
KV6UO12M4W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(3-HYDROXY-4-METHOXYPHENYL )-2-ISOPROPYL-5,5-DIMETHYLCYCLOHEXANECARBOXAMIDE
Systematic Name English
FEMA NO. 4881
Code English
CYCLOHEXANECARBOXAMIDE, N-(3-HYDROXY-4-METHOXYPHENYL)-5,5-DIMETHYL-2-(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
CAS
1857331-84-0
Created by admin on Sat Dec 16 14:35:13 GMT 2023 , Edited by admin on Sat Dec 16 14:35:13 GMT 2023
PRIMARY
PUBCHEM
146048024
Created by admin on Sat Dec 16 14:35:13 GMT 2023 , Edited by admin on Sat Dec 16 14:35:13 GMT 2023
PRIMARY
FDA UNII
KV6UO12M4W
Created by admin on Sat Dec 16 14:35:13 GMT 2023 , Edited by admin on Sat Dec 16 14:35:13 GMT 2023
PRIMARY