ethyl 2-(bromomethyl)-3-(cyclohexylamino)-3-oxidanylidene-2-(2-phenylethanoyloxy)propanoate

Systemtic Name: ethyl 2-(bromomethyl)-3-(cyclohexylamino)-3-oxidanylidene-2-(2-phenylethanoyloxy)propanoate Openeye Name: ethyl 2-(bromomethyl)-3-(cyclohexylamino)-3-oxo-2-(2-phenylacetyl)oxy-propanoate CAS Name: 2-(bromomethyl)-3-(cyclohexylamino)-3-oxo-2-(1-oxo-2-phenylethoxy)propanoic acid ethyl ester IUPAC Name: ethyl 2-(bromomethyl)-3-(cyclohexylamino)-3-oxo-2-(2-phenylacetyl)oxypropanoate Traditional Name: 2-(bromomethyl)-3-(cyclohexylamino)-3-keto-2-(2-phenylacetyl)oxy-propionic acid ethyl ester Formula: C20H26BrNO5 MolecularWeight: 440.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CBr)(C(=O)NC1CCCCC1)OC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CBr)(C(=O)NC1CCCCC1)OC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C20H26BrNO5/c1-2-26-19(25)20(14-21,18(24)22-16-11-7-4-8-12-16)27-17(23)13-15-9-5-3-6-10-15/h3,5-6,9-10,16H,2,4,7-8,11-14H2,1H3,(H,22,24)