ethyl 3-[(6-acetyloxy-2-hexadecyl-2,7,8-trimethyl-3,4-dihydrochromen-5-yl)methyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 3-[(6-acetyloxy-2-hexadecyl-2,7,8-trimethyl-3,4-dihydrochromen-5-yl)methyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 3-[(6-acetoxy-2-hexadecyl-2,7,8-trimethyl-chroman-5-yl)methyl]triazole-4-carboxylate CAS Name: 3-[(6-acetyloxy-2-hexadecyl-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-5-yl)methyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6-acetyloxy-2-hexadecyl-2,7,8-trimethyl-3,4-dihydrochromen-5-yl)methyl]triazole-4-carboxylate Traditional Name: 3-[(6-acetoxy-2-cetyl-2,7,8-trimethyl-chroman-5-yl)methyl]triazole-4-carboxylic acid ethyl ester Formula: C36H57N3O5 MolecularWeight: 611.85488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(CCC2=C(C(=C(C(=C2O1)C)C)OC(=O)C)CN3C(=CN=N3)C(=O)OCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(CCC2=C(C(=C(C(=C2O1)C)C)OC(=O)C)CN3C(=CN=N3)C(=O)OCC)C

InChI

InChI=1S/C36H57N3O5/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-36(6)24-22-30-31(26-39-32(25-37-38-39)35(41)42-8-2)33(43-29(5)40)27(3)28(4)34(30)44-36/h25H,7-24,26H2,1-6H3