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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N4O3
Molecular Weight 390.4351
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBAMIC ACID, N-((2S,3S)-7-CYANO-1,2,3,4-TETRAHYDRO-3-HYDROXY-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, 1-METHYLETHYL ESTER

SMILES

CC(C)OC(=O)N[C@H]1CC2=C([C@H]1O)N(CC3=CC=CC=N3)C4=C2C=C(C=C4)C#N

InChI

InChIKey=JYLZLLBMSMEHAN-RXVVDRJESA-N
InChI=1S/C22H22N4O3/c1-13(2)29-22(28)25-18-10-17-16-9-14(11-23)6-7-19(16)26(20(17)21(18)27)12-15-5-3-4-8-24-15/h3-9,13,18,21,27H,10,12H2,1-2H3,(H,25,28)/t18-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22N4O3
Molecular Weight 390.4351
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
Y0VA78DQK5
Record Status Validated (UNII)
Record Version