methyl 4-[[3-(1-adamantyl)-4-oxidanyl-phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[3-(1-adamantyl)-4-oxidanyl-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[3-(1-adamantyl)-4-hydroxy-benzoyl]amino]benzoate CAS Name: 4-[[[3-(1-adamantyl)-4-hydroxyphenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(1-adamantyl)-4-hydroxybenzoyl]amino]benzoate Traditional Name: 4-[[3-(1-adamantyl)-4-hydroxy-benzoyl]amino]benzoic acid methyl ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H27NO4/c1-30-24(29)18-2-5-20(6-3-18)26-23(28)19-4-7-22(27)21(11-19)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17,27H,8-10,12-14H2,1H3,(H,26,28)