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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H35NO
Molecular Weight 329.5194
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-986104

SMILES

CCCCCC[C@@H]1CCC2=CC(=CC=C2C1)[C@H]3CC[C@](N)(CO)C3

InChI

InChIKey=BPMMYKAHRIEVDH-VOQZNFBZSA-N
InChI=1S/C22H35NO/c1-2-3-4-5-6-17-7-8-19-14-20(10-9-18(19)13-17)21-11-12-22(23,15-21)16-24/h9-10,14,17,21,24H,2-8,11-13,15-16,23H2,1H3/t17-,21+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H35NO
Molecular Weight 329.5194
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
KJ9D084FO4
Record Status Validated (UNII)
Record Version