[6-(2-cyanoethanoyloxymethyl)-9-docosyl-carbazol-3-yl]methyl 2-cyanoethanoate

Systemtic Name: [6-(2-cyanoethanoyloxymethyl)-9-docosyl-carbazol-3-yl]methyl 2-cyanoethanoate Openeye Name: [6-[(2-cyanoacetyl)oxymethyl]-9-docosyl-carbazol-3-yl]methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid [6-[(2-cyano-1-oxoethoxy)methyl]-9-docosyl-3-carbazolyl]methyl ester IUPAC Name: [6-[(2-cyanoacetyl)oxymethyl]-9-docosylcarbazol-3-yl]methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [9-behenyl-6-[(2-cyanoacetyl)oxymethyl]carbazol-3-yl]methyl ester Formula: C42H59N3O4 MolecularWeight: 669.93556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)COC(=O)CC#N)C3=C1C=CC(=C3)COC(=O)CC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCN1C2=C(C=C(C=C2)COC(=O)CC#N)C3=C1C=CC(=C3)COC(=O)CC#N

InChI

InChI=1S/C42H59N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-45-39-24-22-35(33-48-41(46)26-28-43)31-37(39)38-32-36(23-25-40(38)45)34-49-42(47)27-29-44/h22-25,31-32H,2-21,26-27,30,33-34H2,1H3