N-cyclohexyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-octanoyl-amino]ethyl]piperazine-1-carboxamide

Systemtic Name: N-cyclohexyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-octanoyl-amino]ethyl]piperazine-1-carboxamide Openeye Name: N-cyclohexyl-4-[2-[[(E)-3-(2-methoxyphenyl)allyl]-octanoyl-amino]ethyl]piperazine-1-carboxamide CAS Name: N-cyclohexyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-(1-oxooctyl)amino]ethyl]-1-piperazinecarboxamide IUPAC Name: N-cyclohexyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-octanoylamino]ethyl]piperazine-1-carboxamide Traditional Name: 4-[2-[caprylyl-[(E)-3-(2-methoxyphenyl)allyl]amino]ethyl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C31H50N4O3 MolecularWeight: 526.7537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)NC2CCCCC2)CC=CC3=CC=CC=C3OC

Isomeric SMILES

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)NC2CCCCC2)C/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C31H50N4O3/c1-3-4-5-6-10-19-30(36)34(20-13-15-27-14-11-12-18-29(27)38-2)24-21-33-22-25-35(26-23-33)31(37)32-28-16-8-7-9-17-28/h11-15,18,28H,3-10,16-17,19-26H2,1-2H3,(H,32,37)/b15-13+