2-[2-adamantyl(phenylazanyl)methylidene]propanedioic acid

Systemtic Name: 2-[2-adamantyl(phenylazanyl)methylidene]propanedioic acid Openeye Name: 2-[2-adamantyl(anilino)methylene]propanedioic acid CAS Name: 2-[2-adamantyl(anilino)methylidene]propanedioic acid IUPAC Name: 2-[2-adamantyl(anilino)methylidene]propanedioic acid Traditional Name: 2-[2-adamantyl(anilino)methylene]malonic acid Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=C(C(=O)O)C(=O)O)NC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=C(C(=O)O)C(=O)O)NC4=CC=CC=C4

InChI

InChI=1S/C20H23NO4/c22-19(23)17(20(24)25)18(21-15-4-2-1-3-5-15)16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16,21H,6-10H2,(H,22,23)(H,24,25)