1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one

Systemtic Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Openeye Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one CAS Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-1-dodecanone IUPAC Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Traditional Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]dodecan-1-one Formula: C27H43N3O5 MolecularWeight: 489.64742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C27H43N3O5/c1-6-8-10-11-12-13-14-15-16-17-24(31)30-26(28-27(29-30)35-18-9-7-2)21-19-22(32-3)25(34-5)23(20-21)33-4/h19-20H,6-18H2,1-5H3