METHYL 3-ISOQUINOLINECARBOXYLATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H9NO2
Molecular Weight	187.1947
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL 3-ISOQUINOLINECARBOXYLATE

Structure Search

SMILES

COC(=O)C1=NC=C2C=CC=CC2=C1

InChI

InChIKey=ZBCGBIZQNMVMPC-UHFFFAOYSA-N

InChI=1S/C11H9NO2/c1-14-11(13)10-6-8-4-2-3-5-9(8)7-12-10/h2-7H,1H3

HIDE SMILES / InChI

Molecular Formula	C11H9NO2
Molecular Weight	187.1947
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 05:52:34 GMT 2025` Edited by `admin` on `Wed Apr 02 05:52:34 GMT 2025`
Record UNII	EQT2546QNR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

METHYL 3-ISOQUINOLINECARBOXYLATE

Systematic Name

English

3-ISOQUINOLINECARBOXYLIC ACID, METHYL ESTER

Preferred Name

English

METHYL ISOQUINOLINE-3-CARBOXYLATE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10352385

Created by admin on Wed Apr 02 05:52:34 GMT 2025 , Edited by admin on Wed Apr 02 05:52:34 GMT 2025

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FDA UNII

EQT2546QNR

Created by admin on Wed Apr 02 05:52:34 GMT 2025 , Edited by admin on Wed Apr 02 05:52:34 GMT 2025

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CAS

27104-73-0

Created by admin on Wed Apr 02 05:52:34 GMT 2025 , Edited by admin on Wed Apr 02 05:52:34 GMT 2025

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CHEMBL

416152

Created by admin on Wed Apr 02 05:52:34 GMT 2025 , Edited by admin on Wed Apr 02 05:52:34 GMT 2025

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PUBCHEM

725374

Created by admin on Wed Apr 02 05:52:34 GMT 2025 , Edited by admin on Wed Apr 02 05:52:34 GMT 2025

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