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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1N=C(N=N1)C(CC(=O)NC2=C(C=C(C=C2OC)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCN1N=C(N=N1)C(CC(=O)NC2=C(C=C(C=C2OC)OC)OC)C3=CC=CC=C3

InChI

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