[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (2R)-2-(1-adamantyl)-2-bromanyl-ethanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] (2R)-2-(1-adamantyl)-2-bromanyl-ethanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] (2R)-2-(1-adamantyl)-2-bromo-acetate CAS Name: (2R)-2-(1-adamantyl)-2-bromoacetic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (2R)-2-(1-adamantyl)-2-bromoacetate Traditional Name: (2R)-2-(1-adamantyl)-2-bromo-acetic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C(C12CC3CC(C1)CC(C3)C2)Br

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)[C@@H](C12CC3CC(C1)CC(C3)C2)Br

InChI

InChI=1S/C18H25BrN2O4/c1-2-3-20-17(24)21-14(22)10-25-16(23)15(19)18-7-11-4-12(8-18)6-13(5-11)9-18/h2,11-13,15H,1,3-10H2,(H2,20,21,22,24)/t11?,12?,13?,15-,18?/m0/s1