methyl 4-[2-(3-bromanyl-1-adamantyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-bromanyl-1-adamantyl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoate CAS Name: 4-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br

Isomeric SMILES

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

InChI

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