3-(1-adamantylcarbonylamino)benzoic acid

Systemtic Name: 3-(1-adamantylcarbonylamino)benzoic acid Openeye Name: 3-(adamantane-1-carbonylamino)benzoic acid CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]benzoic acid IUPAC Name: 3-(adamantane-1-carbonylamino)benzoic acid Traditional Name: 3-(adamantane-1-carbonylamino)benzoic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3/c20-16(21)14-2-1-3-15(7-14)19-17(22)18-8-11-4-12(9-18)6-13(5-11)10-18/h1-3,7,11-13H,4-6,8-10H2,(H,19,22)(H,20,21)