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

Systemtic Name: N-butyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-octanoyl-amino]ethyl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[2-[[(E)-3-(2-methoxyphenyl)allyl]-octanoyl-amino]ethyl]piperazine-1-carboxamide CAS Name: N-butyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-(1-oxooctyl)amino]ethyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[2-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]-octanoylamino]ethyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[2-[caprylyl-[(E)-3-(2-methoxyphenyl)allyl]amino]ethyl]piperazine-1-carboxamide Formula: C29H48N4O3 MolecularWeight: 500.71642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)NCCCC)CC=CC2=CC=CC=C2OC

Isomeric SMILES

CCCCCCCC(=O)N(CCN1CCN(CC1)C(=O)NCCCC)C/C=C/C2=CC=CC=C2OC

InChI

InChI=1S/C29H48N4O3/c1-4-6-8-9-10-17-28(34)32(19-13-15-26-14-11-12-16-27(26)36-3)23-20-31-21-24-33(25-22-31)29(35)30-18-7-5-2/h11-16H,4-10,17-25H2,1-3H3,(H,30,35)/b15-13+