3-(1-adamantyl)-3-oxidanylidene-2-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylmethyl)propanoic acid

Systemtic Name: 3-(1-adamantyl)-3-oxidanylidene-2-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylmethyl)propanoic acid Openeye Name: 3-(1-adamantyl)-3-oxo-2-(3-pyridylmethyl)-2-(pyrimidin-4-ylmethyl)propanoic acid CAS Name: 3-(1-adamantyl)-3-oxo-2-(3-pyridinylmethyl)-2-(4-pyrimidinylmethyl)propanoic acid IUPAC Name: 3-(1-adamantyl)-3-oxo-2-(pyridin-3-ylmethyl)-2-(pyrimidin-4-ylmethyl)propanoic acid Traditional Name: 3-(1-adamantyl)-3-keto-2-(3-pyridylmethyl)-2-(4-pyrimidylmethyl)propionic acid Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C(CC4=CN=CC=C4)(CC5=NC=NC=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C(CC4=CN=CC=C4)(CC5=NC=NC=C5)C(=O)O

InChI

InChI=1S/C24H27N3O3/c28-21(23-9-17-6-18(10-23)8-19(7-17)11-23)24(22(29)30,12-16-2-1-4-25-14-16)13-20-3-5-26-15-27-20/h1-5,14-15,17-19H,6-13H2,(H,29,30)