3-(3-oxidanylazetidin-1-yl)-3-oxidanylidene-2-[2-(phenylmethyl)-2-adamantyl]propanoic acid

Systemtic Name: 3-(3-oxidanylazetidin-1-yl)-3-oxidanylidene-2-[2-(phenylmethyl)-2-adamantyl]propanoic acid Openeye Name: 2-(2-benzyl-2-adamantyl)-3-(3-hydroxyazetidin-1-yl)-3-oxo-propanoic acid CAS Name: 3-(3-hydroxy-1-azetidinyl)-3-oxo-2-[2-(phenylmethyl)-2-adamantyl]propanoic acid IUPAC Name: 2-(2-benzyl-2-adamantyl)-3-(3-hydroxyazetidin-1-yl)-3-oxopropanoic acid Traditional Name: 2-(2-benzyl-2-adamantyl)-3-(3-hydroxyazetidin-1-yl)-3-keto-propionic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC4=CC=CC=C4)C(C(=O)N5CC(C5)O)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC4=CC=CC=C4)C(C(=O)N5CC(C5)O)C(=O)O

InChI

InChI=1S/C23H29NO4/c25-19-12-24(13-19)21(26)20(22(27)28)23(11-14-4-2-1-3-5-14)17-7-15-6-16(9-17)10-18(23)8-15/h1-5,15-20,25H,6-13H2,(H,27,28)