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

Systemtic Name: 4-[[3-(1-adamantyl)-4-oxidanyl-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-4-hydroxy-benzoyl]amino]benzoic acid CAS Name: 4-[[[3-(1-adamantyl)-4-hydroxyphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-4-hydroxybenzoyl]amino]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-4-hydroxy-benzoyl]amino]benzoic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)C(=O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)C(=O)O)O

InChI

InChI=1S/C24H25NO4/c26-21-6-3-18(22(27)25-19-4-1-17(2-5-19)23(28)29)10-20(21)24-11-14-7-15(12-24)9-16(8-14)13-24/h1-6,10,14-16,26H,7-9,11-13H2,(H,25,27)(H,28,29)