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

Systemtic Name: [6-[[(E)-non-6-enoyl]amino]-7-oxidanylidene-azepan-3-yl] 3-phenylpropanoate Openeye Name: [6-[[(E)-non-6-enoyl]amino]-7-oxo-azepan-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic 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] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [7-keto-6-[[(E)-non-6-enoyl]amino]azepan-3-yl] ester Formula: C24H34N2O4 MolecularWeight: 414.53776

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCCCCC(=O)NC1CCC(CNC1=O)OC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC/C=C/CCCCC(=O)NC1CCC(CNC1=O)OC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C24H34N2O4/c1-2-3-4-5-6-10-13-22(27)26-21-16-15-20(18-25-24(21)29)30-23(28)17-14-19-11-8-7-9-12-19/h3-4,7-9,11-12,20-21H,2,5-6,10,13-18H2,1H3,(H,25,29)(H,26,27)/b4-3+