[6-[[(E)-non-6-enoyl]amino]-7-oxidanylidene-azepan-3-yl] cyclohexanecarboxylate

Systemtic Name: [6-[[(E)-non-6-enoyl]amino]-7-oxidanylidene-azepan-3-yl] cyclohexanecarboxylate Openeye Name: [6-[[(E)-non-6-enoyl]amino]-7-oxo-azepan-3-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [7-oxo-6-[[(E)-1-oxonon-6-enyl]amino]-3-azepanyl] ester IUPAC Name: [6-[[(E)-non-6-enoyl]amino]-7-oxoazepan-3-yl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [7-keto-6-[[(E)-non-6-enoyl]amino]azepan-3-yl] ester Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCCC(=O)NC1CCC(CNC1=O)OC(=O)C2CCCCC2

Isomeric SMILES

CC/C=C/CCCCC(=O)NC1CCC(CNC1=O)OC(=O)C2CCCCC2

InChI

InChI=1S/C22H36N2O4/c1-2-3-4-5-6-10-13-20(25)24-19-15-14-18(16-23-21(19)26)28-22(27)17-11-8-7-9-12-17/h3-4,17-19H,2,5-16H2,1H3,(H,23,26)(H,24,25)/b4-3+