4-[4-(2-adamantylcarbamoyl)-5-cyclobutyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[4-(2-adamantylcarbamoyl)-5-cyclobutyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-(2-adamantylcarbamoyl)-5-cyclobutyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[4-[(2-adamantylamino)-oxomethyl]-5-cyclobutyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-(2-adamantylcarbamoyl)-5-cyclobutylpyrazol-1-yl]benzoic acid Traditional Name: 4-[4-(2-adamantylcarbamoyl)-5-cyclobutyl-pyrazol-1-yl]benzoic acid Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=C(C=NN2C3=CC=C(C=C3)C(=O)O)C(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1CC(C1)C2=C(C=NN2C3=CC=C(C=C3)C(=O)O)C(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C25H29N3O3/c29-24(27-22-18-9-14-8-15(11-18)12-19(22)10-14)21-13-26-28(23(21)16-2-1-3-16)20-6-4-17(5-7-20)25(30)31/h4-7,13-16,18-19,22H,1-3,8-12H2,(H,27,29)(H,30,31)