N-(C11)METHYLNALTRINDOLE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H28N2O3
Molecular Weight	427.5236
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12OC3=C4C(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC7=C2N([11CH3])C8=C7C=CC=C8)=CC=C3O

InChI

InChIKey=CRTCCMARDBQOKA-WGSUCOSMSA-N

InChI=1S/C27H28N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h2-5,8-9,15,21,25,30-31H,6-7,10-14H2,1H3/t21-,25+,26+,27-/m1/s1/i1-1

HIDE SMILES / InChI

Molecular Formula	C27H28N2O3
Molecular Weight	427.5236
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:44 UTC 2023` Edited by `admin` on `Fri Dec 15 15:54:44 UTC 2023`
Record UNII	YQ6D119I11
Record Status	`Validated (UNII)`
Record Version