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SummaryGeometryRelated PDB entries

ZFJ

Summary
Name:(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine
Formula:C22 H27 N
Formal charge:0
Formula weight:305.456 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine
OpenEye OEToolkits2.0.7~{N},~{N}-diethyl-9,9-dimethyl-7-[(~{E})-prop-1-enyl]fluoren-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)\C=C\C
InChIInChI1.03InChI=1S/C22H27N/c1-6-9-16-10-12-18-19-13-11-17(23(7-2)8-3)15-21(19)22(4,5)20(18)14-16/h6,9-15H,7-8H2,1-5H3/b9-6+
InChIKeyInChI1.03UMARKYXLRJLTSK-RMKNXTFCSA-N
SMILES_CANONICALCACTVS3.385CCN(CC)c1ccc2c3ccc(\C=C\C)cc3C(C)(C)c2c1
SMILESCACTVS3.385CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/C=C/C)(C)C
SMILESOpenEye OEToolkits2.0.7CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)(C)C

223532

PDB entries from 2024-08-07

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