BI-224436

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H26N2O4
Molecular Weight	442.5063
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NC2=CC=CC=C2C(C3=CC=C4OCCC5=CC=NC3=C45)=C1[C@H](OC(C)(C)C)C(O)=O

InChI

InChIKey=MIXIIJCBELCMCZ-VWLOTQADSA-N

InChI=1S/C27H26N2O4/c1-15-21(25(26(30)31)33-27(2,3)4)23(17-7-5-6-8-19(17)29-15)18-9-10-20-22-16(12-14-32-20)11-13-28-24(18)22/h5-11,13,25H,12,14H2,1-4H3,(H,30,31)/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H26N2O4
Molecular Weight	442.5063
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 08:57:12 UTC 2023` Edited by `admin` on `Sat Dec 16 08:57:12 UTC 2023`
Record UNII	99A996378Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BI-224436

Code

English

BI224436

Code

English

3-QUINOLINEACETIC ACID, 4-(2,3-DIHYDROPYRANO(4,3,2-DE)QUINOLIN-7-YL)-.ALPHA.-(1,1-DIMETHYLETHOXY)-2-METHYL-, (.ALPHA.S,4R)-

Systematic Name

English

Code System Code Type Description

CAS

1155419-89-8