methyl 3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoate CAS Name: 3-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid methyl ester Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

InChI

InChI=1S/C20H24BrNO3/c1-25-18(24)15-3-2-4-16(6-15)22-17(23)11-19-7-13-5-14(8-19)10-20(21,9-13)12-19/h2-4,6,13-14H,5,7-12H2,1H3,(H,22,23)