2-[2-(3-bromanyl-1-adamantyl)ethanoylamino]benzoic acid

Systemtic Name: 2-[2-(3-bromanyl-1-adamantyl)ethanoylamino]benzoic acid Openeye Name: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid CAS Name: 2-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid Traditional Name: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]benzoic acid Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C19H22BrNO3/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)10-16(22)21-15-4-2-1-3-14(15)17(23)24/h1-4,12-13H,5-11H2,(H,21,22)(H,23,24)