3-[3-(1-adamantylcarbamoyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(1-adamantylcarbamoyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[3-(1-adamantylcarbamoyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[3-[(1-adamantylamino)-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[3-(1-adamantylcarbamoyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[3-(1-adamantylcarbamoyl)pyrazol-1-yl]propionic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)CCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=NN(C=C4)CCC(=O)O

InChI

InChI=1S/C17H23N3O3/c21-15(22)2-4-20-3-1-14(19-20)16(23)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1,3,11-13H,2,4-10H2,(H,18,23)(H,21,22)