N-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(4-chlorophenyl)adamantane-1-carboxamide

Systemtic Name: N-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(4-chlorophenyl)adamantane-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]adamantane-1-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]-1-adamantanecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]adamantane-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-protocatechuyl-adamantane-1-carboxamide Formula: C24H26ClNO3 MolecularWeight: 411.92114

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC(=C(C=C4)O)O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC(=C(C=C4)O)O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H26ClNO3/c25-19-4-2-18(3-5-19)23-9-16-7-17(10-23)12-24(11-16,14-23)22(29)26-13-15-1-6-20(27)21(28)8-15/h1-6,8,16-17,27-28H,7,9-14H2,(H,26,29)