[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)Br

InChI

InChI=1S/C22H26BrNO5/c1-28-19-3-2-16(7-17(19)23)18(25)12-29-20(26)11-24-21(27)22-8-13-4-14(9-22)6-15(5-13)10-22/h2-3,7,13-15H,4-6,8-12H2,1H3,(H,24,27)