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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H29NO3
Molecular Weight 427.5348
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-(4-((1R,2S)-1,2,3,4-TETRAHYDRO-6-HYDROXY-2-PHENYL-1-NAPHTHALENYL)PHENOXY)ETHYL)-2-PYRROLIDINONE

SMILES

OC1=CC=C2[C@H]([C@H](CCC2=C1)C3=CC=CC=C3)C4=CC=C(OCCN5CCCC5=O)C=C4

InChI

InChIKey=YBFAWBLHDMBREC-NAKRPHOHSA-N
InChI=1S/C28H29NO3/c30-23-11-15-26-22(19-23)10-14-25(20-5-2-1-3-6-20)28(26)21-8-12-24(13-9-21)32-18-17-29-16-4-7-27(29)31/h1-3,5-6,8-9,11-13,15,19,25,28,30H,4,7,10,14,16-18H2/t25-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula C28H29NO3
Molecular Weight 427.5348
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
FNT0UY50G8
Record Status Validated (UNII)
Record Version