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ethyl 8-cyano-2-[(3-methyl-3-oxidanyl-nonyl)amino]oct-4-ynoate

ethyl 8-cyano-2-[(3-methyl-3-oxidanyl-nonyl)amino]oct-4-ynoate

Systemtic Name:ethyl 8-cyano-2-[(3-methyl-3-oxidanyl-nonyl)amino]oct-4-ynoate
Openeye Name:ethyl 8-cyano-2-[(3-hydroxy-3-methyl-nonyl)amino]oct-4-ynoate
CAS Name:8-cyano-2-[(3-hydroxy-3-methylnonyl)amino]-4-octynoic acid ethyl ester
IUPAC Name:ethyl 8-cyano-2-[(3-hydroxy-3-methylnonyl)amino]oct-4-ynoate
Traditional Name:8-cyano-2-[(3-hydroxy-3-methyl-nonyl)amino]oct-4-ynoic acid ethyl ester
Formula: C21H36N2O3
MolecularWeight: 364.52214
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(CCNC(CC#CCCCC#N)C(=O)OCC)O


Isomeric SMILES

CCCCCCC(C)(CCNC(CC#CCCCC#N)C(=O)OCC)O


InChI

InChI=1S/C21H36N2O3/c1-4-6-7-12-15-21(3,25)16-18-23-19(20(24)26-5-2)14-11-9-8-10-13-17-22/h19,23,25H,4-8,10,12-16,18H2,1-3H3


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