2-[[3-(bromomethyl)-5-methyl-1-adamantyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-(bromomethyl)-5-methyl-1-adamantyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-(bromomethyl)-5-methyl-adamantane-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[3-(bromomethyl)-5-methyl-1-adamantyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-(bromomethyl)-5-methyladamantane-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[3-(bromomethyl)-5-methyl-adamantane-1-carbonyl]amino]benzoic acid Formula: C20H24BrNO3 MolecularWeight: 406.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=CC=CC=C4C(=O)O)CBr

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NC4=CC=CC=C4C(=O)O)CBr

InChI

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