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

Systemtic Name: methyl 3-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C20H23BrClNO3 MolecularWeight: 440.75852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrClNO3/c1-26-18(25)14-2-3-15(22)16(5-14)23-17(24)10-19-6-12-4-13(7-19)9-20(21,8-12)11-19/h2-3,5,12-13H,4,6-11H2,1H3,(H,23,24)