N-[[4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]phenyl]methyl]pyridine-4-carboxamide

Systemtic Name: N-[[4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]phenyl]methyl]pyridine-4-carboxamide Openeye Name: N-[[4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]phenyl]methyl]pyridine-4-carboxamide CAS Name: N-[[4-tert-butyl-3-[[1-oxo-3-(2,4,5-trimethoxyphenyl)octyl]amino]phenyl]methyl]-4-pyridinecarboxamide IUPAC Name: N-[[4-tert-butyl-3-[3-(2,4,5-trimethoxyphenyl)octanoylamino]phenyl]methyl]pyridine-4-carboxamide Traditional Name: N-[3-(3-asaryloctanoylamino)-4-tert-butyl-benzyl]isonicotinamide Formula: C34H45N3O5 MolecularWeight: 575.7382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CNC(=O)C2=CC=NC=C2)C(C)(C)C)C3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)CNC(=O)C2=CC=NC=C2)C(C)(C)C)C3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C34H45N3O5/c1-8-9-10-11-25(26-20-30(41-6)31(42-7)21-29(26)40-5)19-32(38)37-28-18-23(12-13-27(28)34(2,3)4)22-36-33(39)24-14-16-35-17-15-24/h12-18,20-21,25H,8-11,19,22H2,1-7H3,(H,36,39)(H,37,38)