3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methyl-1-piperidinyl)-1-propanone (Q27163611)

CHEMBL2326701 (English)

9 October 2016

chemical formula

C₂₄H₂₉NO₆

1 reference

CHEMBL2326701 (English)

9 October 2016

canonical SMILES

CC1CCN(CC1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O

1 reference

CHEMBL2326701 (English)

InChI=1S/C24H29NO6/c1-15-6-8-25(9-7-15)23(27)13-18(16-4-5-20-21(10-16)31-14-30-20)24-19(26)11-17(28-2)12-22(24)29-3/h4-5,10-12,15,18,26H,6-9,13-14H2,1-3H3

9 October 2016

Identifiers

InChI

1 reference

CHEMBL2326701 (English)

RVDDFWHDMUQVLX-UHFFFAOYSA-N

9 October 2016

InChIKey

2 references

CHEMBL2326701 (English)

CAS (formerly Chemical Abstracts Service)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

1334469-72-5

1 reference

stated in

25 January 2022

1 reference

3-(1,3-Benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methyl-1-piperidinyl)-1-propanone (English)

9 October 2016

2 references

CHEMBL2326701 (English)

matched by identifier from

9 October 2016

InChIKey

RVDDFWHDMUQVLX-UHFFFAOYSA-N

ChEBI ID

91814

mapping relation type

2 references

3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(4-methyl-1-piperidinyl)-1-propanone (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C24H29NO6/c1-15-6-8-25(9-7-15)23(27)13-18(16-4-5-20-21(10-16)31-14-30-20)24-19(26)11-17(28-2)12-22(24)29-3/h4-5,10-12,15,18,26H,6-9,13-14H2,1-3H3

1 reference