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Details

Stereochemistry ACHIRAL
Molecular Formula C21H23NO2
Molecular Weight 321.4128
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(4-HYDROXYMETHYLBENZOYL)-1-PENTYLINDOLE

SMILES

CCCCCN1C=C(C(=O)C2=CC=C(CO)C=C2)C3=C1C=CC=C3

InChI

InChIKey=KAXVGIUZJKXDPE-UHFFFAOYSA-N
InChI=1S/C21H23NO2/c1-2-3-6-13-22-14-19(18-7-4-5-8-20(18)22)21(24)17-11-9-16(15-23)10-12-17/h4-5,7-12,14,23H,2-3,6,13,15H2,1H3

HIDE SMILES / InChI

Molecular Formula C21H23NO2
Molecular Weight 321.4128
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
W64GU7350V
Record Status Validated (UNII)
Record Version