4-[4-(1-adamantylcarbonylamino)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(1-adamantylcarbonylamino)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(adamantane-1-carbonylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-(adamantane-1-carbonylamino)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(adamantane-1-carbonylamino)phenyl]-4-keto-butyric acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)CCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)CCC(=O)O

InChI

InChI=1S/C21H25NO4/c23-18(5-6-19(24)25)16-1-3-17(4-2-16)22-20(26)21-10-13-7-14(11-21)9-15(8-13)12-21/h1-4,13-15H,5-12H2,(H,22,26)(H,24,25)