2-[[4-(3-oxidanyl-1-adamantyl)phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-(3-oxidanyl-1-adamantyl)phenyl]amino]benzoic acid Openeye Name: 2-[4-(3-hydroxy-1-adamantyl)anilino]benzoic acid CAS Name: 2-[4-(3-hydroxy-1-adamantyl)anilino]benzoic acid IUPAC Name: 2-[4-(3-hydroxy-1-adamantyl)anilino]benzoic acid Traditional Name: 2-[4-(3-hydroxy-1-adamantyl)anilino]benzoic acid Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C23H25NO3/c25-21(26)19-3-1-2-4-20(19)24-18-7-5-17(6-8-18)22-10-15-9-16(11-22)13-23(27,12-15)14-22/h1-8,15-16,24,27H,9-14H2,(H,25,26)