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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H31NO3
Molecular Weight 309.4436
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl (1R,5R,6R)-7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate

SMILES

[H][C@@]12CC(=C[C@@H](OC(CC)CC)[C@]1([H])N2C(C)(C)C)C(=O)OCC

InChI

InChIKey=UXYQFYXXRVMJMV-OJEBHDCCSA-N
InChI=1S/C18H31NO3/c1-7-13(8-2)22-15-11-12(17(20)21-9-3)10-14-16(15)19(14)18(4,5)6/h11,13-16H,7-10H2,1-6H3/t14-,15-,16-,19?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Ethyl (1R,5R,6R)-7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylate
Systematic Name English
7-Azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid, 7-(1,1-dimethylethyl)-5-(1-ethylpropoxy)-, ethyl ester, (1R,5R,6R)-
Common Name English
Code System Code Type Description
FDA UNII
DN543D56FF
Created by admin on Sat Dec 16 19:58:17 GMT 2023 , Edited by admin on Sat Dec 16 19:58:17 GMT 2023
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PUBCHEM
134990133
Created by admin on Sat Dec 16 19:58:17 GMT 2023 , Edited by admin on Sat Dec 16 19:58:17 GMT 2023
PRIMARY
CAS
2417645-75-9
Created by admin on Sat Dec 16 19:58:17 GMT 2023 , Edited by admin on Sat Dec 16 19:58:17 GMT 2023
PRIMARY