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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H17NO2
Molecular Weight 267.3224
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-BENZYLOXYCARBONYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE (S)-

SMILES

O=C(OCC1=CC=CC=C1)[C@@H]2CC3=CC=CC=C3CN2

InChI

InChIKey=CAKWIRNQEKMHOR-INIZCTEOSA-N
InChI=1S/C17H17NO2/c19-17(20-12-13-6-2-1-3-7-13)16-10-14-8-4-5-9-15(14)11-18-16/h1-9,16,18H,10-12H2/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H17NO2
Molecular Weight 267.3224
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:46:24 GMT 2023
Edited
by admin
on Sat Dec 16 13:46:24 GMT 2023
Record UNII
E784E3AR7M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-BENZYLOXYCARBONYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE (S)-
Systematic Name English
3-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-, PHENYLMETHYL ESTER, (3S)-
Systematic Name English
BENZYL (3S)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLATE
Systematic Name English
Code System Code Type Description
FDA UNII
E784E3AR7M
Created by admin on Sat Dec 16 13:46:24 GMT 2023 , Edited by admin on Sat Dec 16 13:46:24 GMT 2023
PRIMARY
PUBCHEM
688310
Created by admin on Sat Dec 16 13:46:24 GMT 2023 , Edited by admin on Sat Dec 16 13:46:24 GMT 2023
PRIMARY
CAS
77497-96-2
Created by admin on Sat Dec 16 13:46:24 GMT 2023 , Edited by admin on Sat Dec 16 13:46:24 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT