4-[2-(1-adamantyl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(1-adamantyl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-adamantyl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(1-adamantyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-adamantyl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(1-adamantyl)acetyl]amino]benzoic acid Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H23NO3/c21-17(20-16-3-1-15(2-4-16)18(22)23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,21)(H,22,23)