6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoic acid

Systemtic Name: 6-(1-azanyl-1-oxidanylidene-hexadecan-3-yl)oxy-6-oxidanylidene-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoic acid Openeye Name: 6-[1-(2-amino-2-oxo-ethyl)tetradecoxy]-6-oxo-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoic acid CAS Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]hexanoic acid IUPAC Name: 6-(1-amino-1-oxohexadecan-3-yl)oxy-6-oxo-5-[[(E)-3-phenylprop-2-enoyl]amino]hexanoic acid Traditional Name: 6-[1-(2-amino-2-keto-ethyl)tetradecoxy]-6-keto-5-[[(E)-3-phenylacryloyl]amino]hexanoic acid Formula: C31H48N2O6 MolecularWeight: 544.72262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCC(CC(=O)N)OC(=O)C(CCCC(=O)O)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C31H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-15-19-26(24-28(32)34)39-31(38)27(20-16-21-30(36)37)33-29(35)23-22-25-17-13-12-14-18-25/h12-14,17-18,22-23,26-27H,2-11,15-16,19-21,24H2,1H3,(H2,32,34)(H,33,35)(H,36,37)/b23-22+