2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide

Systemtic Name: 2-(2-dodecyl-1,2,3,4-tetrazol-5-yl)-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide Openeye Name: 2-(2-dodecyltetrazol-5-yl)-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide CAS Name: 2-(2-dodecyl-5-tetrazolyl)-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide IUPAC Name: 2-(2-dodecyltetrazol-5-yl)-3-phenyl-N-(2,4,6-trimethoxyphenyl)propanamide Traditional Name: 2-(2-lauryltetrazol-5-yl)-3-phenyl-N-(2,4,6-trimethoxyphenyl)propionamide Formula: C31H45N5O4 MolecularWeight: 551.7201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)C(CC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3OC)OC)OC

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)C(CC2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3OC)OC)OC

InChI

InChI=1S/C31H45N5O4/c1-5-6-7-8-9-10-11-12-13-17-20-36-34-30(33-35-36)26(21-24-18-15-14-16-19-24)31(37)32-29-27(39-3)22-25(38-2)23-28(29)40-4/h14-16,18-19,22-23,26H,5-13,17,20-21H2,1-4H3,(H,32,37)