N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-octanoyl-amino]ethyl]piperazine-1-carboxamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-octanoyl-amino]ethyl]piperazine-1-carboxamide Openeye Name: N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-octanoyl-amino]ethyl]piperazine-1-carboxamide CAS Name: N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(1-oxooctyl)amino]ethyl]-1-piperazinecarboxamide IUPAC Name: N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-octanoylamino]ethyl]piperazine-1-carboxamide Traditional Name: 4-[2-[caprylyl-(4-fluorobenzyl)amino]ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide Formula: C30H43FN4O4 MolecularWeight: 542.685223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)NC2=C(C=C(C=C2)OC)OC)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)NC2=C(C=C(C=C2)OC)OC)CC3=CC=C(C=C3)F

InChI

InChI=1S/C30H43FN4O4/c1-4-5-6-7-8-9-29(36)35(23-24-10-12-25(31)13-11-24)21-18-33-16-19-34(20-17-33)30(37)32-27-15-14-26(38-2)22-28(27)39-3/h10-15,22H,4-9,16-21,23H2,1-3H3,(H,32,37)