2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-3-methyl-N-(2,4,6-trimethoxyphenyl)but-2-enamide

Systemtic Name: 2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-3-methyl-N-(2,4,6-trimethoxyphenyl)but-2-enamide Openeye Name: 2-(2-dodecyltetrazol-5-yl)-3-methyl-N-(2,4,6-trimethoxyphenyl)but-2-enamide CAS Name: 2-(2-dodecyl-5-tetrazolyl)-3-methyl-N-(2,4,6-trimethoxyphenyl)-2-butenamide IUPAC Name: 2-(2-dodecyltetrazol-5-yl)-3-methyl-N-(2,4,6-trimethoxyphenyl)but-2-enamide Traditional Name: 2-(2-lauryltetrazol-5-yl)-3-methyl-N-(2,4,6-trimethoxyphenyl)but-2-enamide Formula: C27H43N5O4 MolecularWeight: 501.66142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)C(=C(C)C)C(=O)NC2=C(C=C(C=C2OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)C(=C(C)C)C(=O)NC2=C(C=C(C=C2OC)OC)OC

InChI

InChI=1S/C27H43N5O4/c1-7-8-9-10-11-12-13-14-15-16-17-32-30-26(29-31-32)24(20(2)3)27(33)28-25-22(35-5)18-21(34-4)19-23(25)36-6/h18-19H,7-17H2,1-6H3,(H,28,33)