2-(prop-2-enoylamino)-3-(4-undecanoyloxyphenyl)propanoic acid hydrobromide

Systemtic Name: 2-(prop-2-enoylamino)-3-(4-undecanoyloxyphenyl)propanoic acid hydrobromide Openeye Name: 2-(prop-2-enoylamino)-3-(4-undecanoyloxyphenyl)propanoic acid hydrobromide CAS Name: 2-(1-oxoprop-2-enylamino)-3-[4-(1-oxoundecoxy)phenyl]propanoic acid hydrobromide IUPAC Name: 2-(prop-2-enoylamino)-3-(4-undecanoyloxyphenyl)propanoic acid hydrobromide Traditional Name: 2-acrylamido-3-(4-undecanoyloxyphenyl)propionic acid hydrobromide Formula: C23H34BrNO5 MolecularWeight: 484.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C=C.Br

Isomeric SMILES

CCCCCCCCCCC(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C=C.Br

InChI

InChI=1S/C23H33NO5.BrH/c1-3-5-6-7-8-9-10-11-12-22(26)29-19-15-13-18(14-16-19)17-20(23(27)28)24-21(25)4-2;/h4,13-16,20H,2-3,5-12,17H2,1H3,(H,24,25)(H,27,28);1H