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

Systemtic Name: [6-(2-cyanoethanoyloxymethyl)-9-heptyl-carbazol-3-yl]methyl 2-cyanoethanoate Openeye Name: [6-[(2-cyanoacetyl)oxymethyl]-9-heptyl-carbazol-3-yl]methyl 2-cyanoacetate CAS Name: 2-cyanoacetic acid [6-[(2-cyano-1-oxoethoxy)methyl]-9-heptyl-3-carbazolyl]methyl ester IUPAC Name: [6-[(2-cyanoacetyl)oxymethyl]-9-heptylcarbazol-3-yl]methyl 2-cyanoacetate Traditional Name: 2-cyanoacetic acid [6-[(2-cyanoacetyl)oxymethyl]-9-heptyl-carbazol-3-yl]methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)COC(=O)CC#N)C3=C1C=CC(=C3)COC(=O)CC#N

Isomeric SMILES

CCCCCCCN1C2=C(C=C(C=C2)COC(=O)CC#N)C3=C1C=CC(=C3)COC(=O)CC#N

InChI

InChI=1S/C27H29N3O4/c1-2-3-4-5-6-15-30-24-9-7-20(18-33-26(31)11-13-28)16-22(24)23-17-21(8-10-25(23)30)19-34-27(32)12-14-29/h7-10,16-17H,2-6,11-12,15,18-19H2,1H3