5-[[[4-(1-adamantyl)phenyl]amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[[4-(1-adamantyl)phenyl]amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-(1-adamantyl)anilino]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-(1-adamantyl)anilino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-(1-adamantyl)anilino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-(1-adamantyl)anilino]methyl]-2-furoic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NCC5=CC=C(O5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NCC5=CC=C(O5)C(=O)O

InChI

InChI=1S/C22H25NO3/c24-21(25)20-6-5-19(26-20)13-23-18-3-1-17(2-4-18)22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16,23H,7-13H2,(H,24,25)