[3-[[(E)-but-2-enoyl]amino]phenyl] N-octadecylcarbamate

Systemtic Name: [3-[[(E)-but-2-enoyl]amino]phenyl] N-octadecylcarbamate Openeye Name: [3-[[(E)-but-2-enoyl]amino]phenyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [3-[[(E)-1-oxobut-2-enyl]amino]phenyl] ester IUPAC Name: [3-[[(E)-but-2-enoyl]amino]phenyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [3-[[(E)-but-2-enoyl]amino]phenyl] ester Formula: C29H48N2O3 MolecularWeight: 472.70302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC1=CC=CC(=C1)NC(=O)C=CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC1=CC=CC(=C1)NC(=O)/C=C/C

InChI

InChI=1S/C29H48N2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-30-29(33)34-27-23-20-22-26(25-27)31-28(32)21-4-2/h4,20-23,25H,3,5-19,24H2,1-2H3,(H,30,33)(H,31,32)/b21-4+