5-[(1-adamantylamino)methyl]furan-2-carboxylic acid

Systemtic Name: 5-[(1-adamantylamino)methyl]furan-2-carboxylic acid Openeye Name: 5-[(1-adamantylamino)methyl]furan-2-carboxylic acid CAS Name: 5-[(1-adamantylamino)methyl]-2-furancarboxylic acid IUPAC Name: 5-[(1-adamantylamino)methyl]furan-2-carboxylic acid Traditional Name: 5-[(1-adamantylamino)methyl]-2-furoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=CC=C(O4)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C16H21NO3/c18-15(19)14-2-1-13(20-14)9-17-16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,10-12,17H,3-9H2,(H,18,19)